Diff of the two buildlogs:
--
--- b1/build.log 2025-03-31 13:38:06.740930242 +0000
+++ b2/build.log 2025-03-31 14:15:54.502647987 +0000
@@ -1,6 +1,6 @@
I: pbuilder: network access will be disabled during build
-I: Current time: Sun May 3 07:26:57 -12 2026
-I: pbuilder-time-stamp: 1777836417
+I: Current time: Tue Apr 1 03:38:12 +14 2025
+I: pbuilder-time-stamp: 1743428292
I: Building the build Environment
I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz]
I: copying local configuration
@@ -27,51 +27,83 @@
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/3638886/tmp/hooks/D02_print_environment starting
+I: user script /srv/workspace/pbuilder/126204/tmp/hooks/D01_modify_environment starting
+debug: Running on infom01-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 Mar 31 13:38 /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/126204/tmp/hooks/D01_modify_environment finished
+I: user script /srv/workspace/pbuilder/126204/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'
+ 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=12 '
- DISTRIBUTION='unstable'
- HOME='/root'
- HOST_ARCH='amd64'
+ 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='5acdfa984d2545cfade9646ee481d660'
- 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='3638886'
- PS1='# '
- PS2='> '
+ INVOCATION_ID=27a0059b69a54e88952a0e39885ac1e2
+ 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=126204
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.s8Fnh3mD/pbuilderrc_jkNY --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.s8Fnh3mD/b1 --logfile b1/build.log cp2k_2024.2-1.dsc'
- SUDO_GID='109'
- SUDO_UID='104'
- SUDO_USER='jenkins'
- TERM='unknown'
- TZ='/usr/share/zoneinfo/Etc/GMT+12'
- USER='root'
- _='/usr/bin/systemd-run'
+ 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.s8Fnh3mD/pbuilderrc_gq2Z --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.s8Fnh3mD/b2 --logfile b2/build.log cp2k_2024.2-1.dsc'
+ SUDO_GID=109
+ SUDO_UID=104
+ SUDO_USER=jenkins
+ TERM=unknown
+ TZ=/usr/share/zoneinfo/Etc/GMT-14
+ UID=0
+ USER=root
+ _='I: set'
I: uname -a
- Linux infom02-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-cloud-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/3638886/tmp/hooks/D02_print_environment finished
+ lrwxrwxrwx 1 root root 7 Mar 4 11:20 /bin -> usr/bin
+I: user script /srv/workspace/pbuilder/126204/tmp/hooks/D02_print_environment finished
-> Attempting to satisfy build-dependencies
-> Creating pbuilder-satisfydepends-dummy package
Package: pbuilder-satisfydepends-dummy
@@ -356,7 +388,7 @@
Get: 205 http://deb.debian.org/debian unstable/main amd64 sphinx-rtd-theme-common all 3.0.2+dfsg-2 [1023 kB]
Get: 206 http://deb.debian.org/debian unstable/main amd64 python3-sphinxcontrib.jquery all 4.1-5 [7348 B]
Get: 207 http://deb.debian.org/debian unstable/main amd64 python3-sphinx-rtd-theme all 3.0.2+dfsg-2 [29.7 kB]
-Fetched 238 MB in 2s (99.7 MB/s)
+Fetched 238 MB in 3s (69.7 MB/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 ... 19804 files and directories currently installed.)
@@ -1026,8 +1058,8 @@
Setting up tzdata (2025b-1) ...
Current default time zone: 'Etc/UTC'
-Local time is now: Sun May 3 19:28:54 UTC 2026.
-Universal Time is now: Sun May 3 19:28:54 UTC 2026.
+Local time is now: Mon Mar 31 13:39:52 UTC 2025.
+Universal Time is now: Mon Mar 31 13:39:52 UTC 2025.
Run 'dpkg-reconfigure tzdata' if you wish to change it.
Setting up libdbcsr-dev (2.8.0-3) ...
@@ -1394,7 +1426,11 @@
Building tag database...
-> Finished parsing the build-deps
I: Building the package
-I: Running cd /build/reproducible-path/cp2k-2024.2/ && 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_2024.2-1_source.changes
+I: user script /srv/workspace/pbuilder/126204/tmp/hooks/A99_set_merged_usr starting
+Not re-configuring usrmerge for unstable
+I: user script /srv/workspace/pbuilder/126204/tmp/hooks/A99_set_merged_usr finished
+hostname: Name or service not known
+I: Running cd /build/reproducible-path/cp2k-2024.2/ && 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_2024.2-1_source.changes
dpkg-buildpackage: info: source package cp2k
dpkg-buildpackage: info: source version 2024.2-1
dpkg-buildpackage: info: source distribution unstable
@@ -1474,97 +1510,97 @@
/build/reproducible-path/cp2k-2024.2/tools/build_utils/check_archives.py ar /build/reproducible-path/cp2k-2024.2/src /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp
echo "Resolving dependencies for psmp ... "
Resolving dependencies for psmp ...
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/makedep.py /build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep cp2k "lower" "normal" .a /build/reproducible-path/cp2k-2024.2/src ./fist_intra_force.F ./qs_gcp_utils.F ./libint_2c_3c.F ./fist_neighbor_lists.F ./et_coupling_types.F ./hfx_energy_potential.F ./atom_xc.F ./motion/gopt_f_types.F ./motion/neb_io.F ./motion/bfgs_optimizer.F ./motion/helium_nnp.F ./motion/integrator_utils.F ./motion/wiener_process.F ./motion/thermostat/barostat_types.F ./motion/thermostat/extended_system_mapping.F ./motion/thermostat/al_system_dynamics.F ./motion/thermostat/csvr_system_mapping.F ./motion/thermostat/thermostat_types.F ./motion/thermostat/input_cp2k_barostats.F ./motion/thermostat/al_system_mapping.F ./motion/thermostat/csvr_system_init.F ./motion/thermostat/thermostat_methods.F ./motion/thermostat/thermostat_mapping.F ./motion/thermostat/gle_system_dynamics.F ./motion/thermostat/barostat_utils.F ./motion/thermostat/csvr_system_dynamics.F ./motion/thermostat/extended_system_init.F ./motion/thermostat/thermostat_utils.F ./motion/thermostat/extended_system_dynamics.F ./motion/thermostat/al_system_init.F ./motion/glbopt_callback.F ./motion/gopt_f_methods.F ./motion/gopt_f77_methods.F ./motion/thermal_region_utils.F ./motion/md_util.F ./motion/md_energies.F ./motion/vibrational_analysis.F ./motion/reftraj_types.F ./motion/input_cp2k_vib.F ./motion/neb_types.F ./motion/helium_worm.F ./motion/averages_types.F ./motion/md_environment_types.F ./motion/dimer_types.F ./motion/input_cp2k_md.F ./motion/reftraj_util.F ./motion/neb_md_utils.F ./motion/pint_gle.F ./motion/geo_opt.F ./motion/shell_opt.F ./motion/velocity_verlet_control.F ./motion/cell_opt_types.F ./motion/md_conserved_quantities.F ./motion/dumpdcd.F ./motion/cp_lbfgs_geo.F ./motion/md_run.F ./motion/neb_methods.F ./motion/space_groups_types.F ./motion/md_vel_utils.F ./motion/space_groups.F ./motion/cell_opt_utils.F ./motion/helium_methods.F ./motion/cp_lbfgs_optimizer_gopt.F ./motion/thermal_region_types.F ./motion/pint_normalmode.F ./motion/helium_types.F ./motion/cg_optimizer.F ./motion/pint_piglet.F ./motion/pint_staging.F ./motion/pint_pile.F ./motion/cp_lbfgs.F ./motion/simpar_methods.F ./motion/pint_io.F ./motion/helium_common.F ./motion/mc/mc_run.F ./motion/mc/mc_moves.F ./motion/mc/mc_control.F ./motion/mc/mc_environment_types.F ./motion/mc/mc_ge_moves.F ./motion/mc/mc_types.F ./motion/mc/mc_move_control.F ./motion/mc/tamc_run.F ./motion/mc/mc_ensembles.F ./motion/mc/mc_misc.F ./motion/mc/mc_coordinates.F ./motion/pint_methods.F ./motion/md_ener_types.F ./motion/mdctrl_methods.F ./motion/pint_public.F ./motion/rt_propagation.F ./motion/cell_opt.F ./motion/helium_interactions.F ./motion/helium_io.F ./motion/gopt_param_types.F ./motion/pint_qtb.F ./motion/dimer_methods.F ./motion/dimer_utils.F ./motion/xyz2dcd.F ./motion/integrator.F ./motion/neb_utils.F ./motion/neb_opt_utils.F ./motion/pint_transformations.F ./motion/pint_types.F ./motion/input_cp2k_restarts.F ./motion/helium_sampling.F ./motion/cg_utils.F ./motion/free_energy_methods.F ./qs_gapw_densities.F ./atom_admm_methods.F ./negf_green_cache.F ./pexsi_interface.F ./qs_cdft_methods.F ./qs_grid_atom.F ./replica_types.F ./qs_gspace_mixing.F ./xc/xc_atom.F ./xc/xc_perdew86.F ./xc/xc_libxc_wrap.F ./xc/xc_derivatives.F ./xc/xc_rho_cflags_types.F ./xc/xc.F ./xc/xc_xbr_pbe_lda_hole_t_c_lr.F ./xc/xc_rho_set_types.F ./xc/xc_pbe.F ./xc/xc_lyp.F ./xc/xc_optx.F ./xc/xc_xlda_hole_t_c_lr.F ./xc/xc_xwpbe.F ./xc/xc_xbeef.F ./xc/xc_xbecke88_lr_adiabatic.F ./xc/xc_xbecke88_long_range.F ./xc/xc_derivative_types.F ./xc/xc_libxc.F ./xc/xc_derivative_desc.F ./xc/xc_b97.F ./xc/xc_tfw.F ./xc/xc_vwn.F ./xc/xc_xpbe_hole_t_c_lr.F ./xc/xc_lyp_adiabatic.F ./xc/xc_perdew_wang.F ./xc/xc_util.F ./xc/xc_b97_fxc.F ./xc/xc_thomas_fermi.F ./xc/xc_hcth.F ./xc/xc_input_constants.F ./xc/xc_tpss.F ./xc/xc_exchange_gga.F ./xc/xc_perdew_zunger.F ./xc/xc_xbecke88.F ./xc/xc_ke_gga.F ./xc/xc_xalpha.F ./xc/xc_xbecke_roussel.F ./xc/xc_derivative_set_types.F ./xc/cp_linked_list_xc_deriv.F ./xc/xc_pade.F ./xc/xc_functionals_utilities.F ./xc/xc_fxc_kernel.F ./xc/xc_cs1.F ./qs_energy_types.F ./qmmmx_force.F ./minbas_wfn_analysis.F ./constraint_vsite.F ./qs_charges_types.F ./qmmm_tb_methods.F ./pme_tools.F ./mode_selective.F ./gw_large_cell_gamma.F ./qs_tddfpt2_restart.F ./atomic_charges.F ./pao_param_equi.F ./qs_dos.F ./mp2_direct_method.F ./pme.F ./qs_mfp.F ./input_cp2k_scf.F ./rpa_rse.F ./fist_energy_types.F ./atom_grb.F ./qs_tensors_types.F ./qs_scf_types.F ./semi_empirical_store_int_types.F ./qs_fb_hash_table_types.F ./mp2_eri_gpw.F ./semi_empirical_int3_utils.F ./negf_atom_map.F ./input_cp2k_exstate.F ./qs_scf_post_scf.F ./subsys/cp_subsys_types.F ./subsys/external_potential_types.F ./subsys/molecule_list_types.F ./subsys/force_field_kind_types.F ./subsys/atprop_types.F ./subsys/damping_dipole_types.F ./subsys/atomic_kind_types.F ./subsys/shell_potential_types.F ./subsys/cell_types.F ./subsys/molecule_kind_types.F ./subsys/atomic_kind_list_types.F ./subsys/multipole_types.F ./subsys/virial_types.F ./subsys/colvar_types.F ./subsys/molecule_types.F ./subsys/molecule_kind_list_types.F ./subsys/particle_types.F ./subsys/particle_list_types.F ./input_cp2k_thermostats.F ./atom_upf.F ./xas_tdp_utils.F ./qs_linres_epr_nablavks.F ./rt_propagation_forces.F ./mp2_ri_gpw.F ./fist_efield_types.F ./qmmm_elpot.F ./mao_basis.F ./shg_integrals_test.F ./qmmm_se_forces.F ./qs_fb_env_types.F ./qs_tddfpt2_lri_utils.F ./input_restart_force_eval.F ./qs_density_mixing_types.F ./distribution_2d_types.F ./semi_empirical_int_utils.F ./input_cp2k_global.F ./qs_active_space_methods.F ./atom_optimization.F ./nnp_acsf.F ./spme.F ./input_cp2k_xc.F ./metadynamics_utils.F ./force_fields_util.F ./gw_main.F ./tip_scan_types.F ./qs_charge_mixing.F ./optimize_embedding_potential.F ./ec_env_types.F ./input_restart_rng.F ./input_cp2k_eip.F ./qs_moments.F ./ewald_environment_types.F ./qs_local_rho_types.F ./qmmm_tb_coulomb.F ./qs_ks_atom.F ./qs_dftb_parameters.F ./qs_period_efield_types.F ./csvr_system_types.F ./xray_diffraction.F ./qs_core_hamiltonian.F ./qs_tddfpt2_eigensolver.F ./se_fock_matrix_integrals.F ./molecular_dipoles.F ./manybody_gal.F ./dm_ls_scf_qs.F ./pw/dct.F ./pw/ps_implicit_types.F ./pw/fft/fftsg_lib.F ./pw/fft/fftw3_lib.F ./pw/fft/fft_lib.F ./pw/fft/fft_kinds.F ./pw/fft/fft_plan.F ./pw/fft/mltfftsg_tools.F ./pw/realspace_grid_cube.F ./pw/dielectric_types.F ./pw/dgs.F ./pw/ps_wavelet_scaling_function.F ./pw/pw_fpga.F ./pw/cube_utils.F ./pw/pw_poisson_types.F ./pw/dg_rho0_types.F ./pw/ps_wavelet_types.F ./pw/pw_grid_types.F ./pw/ps_wavelet_fft3d.F ./pw/ps_implicit_methods.F ./pw/fft_tools.F ./pw/lazy.F ./pw/dirichlet_bc_types.F ./pw/dirichlet_bc_methods.F ./pw/pw_poisson_methods.F ./pw/ps_wavelet_kernel.F ./pw/mt_util.F ./pw/pw_grid_info.F ./pw/pw_gpu.F ./pw/ps_wavelet_base.F ./pw/dg_types.F ./pw/pw_types.F ./pw/ps_wavelet_util.F ./pw/cp_linked_list_pw.F ./pw/realspace_grid_types.F ./pw/pw_methods.F ./pw/pw_pool_types.F ./pw/ps_wavelet_methods.F ./pw/pw_spline_utils.F ./pw/rs_methods.F ./pw/pw_grids.F ./pw/pw_copy_all.F ./pw/dielectric_methods.F ./qs_scf_output.F ./voronoi_interface.F ./pao_param_fock.F ./qmmm_init.F ./qs_environment_types.F ./post_scf_bandstructure_utils.F ./admm_dm_methods.F ./qs_dftb_utils.F ./pao_input.F ./rpa_gw_sigma_x.F ./cp_dbcsr_operations.F ./efield_utils.F ./sirius_interface.F ./qs_rho_methods.F ./ewald_pw_methods.F ./qs_kernel_types.F ./rpa_communication.F ./pw_poisson_read_input.F ./force_env_types.F ./manybody_deepmd.F ./dm_ls_scf_methods.F ./rpa_im_time_force_methods.F ./eip_environment.F ./topology_coordinate_util.F ./exstates_types.F ./spglib_f08.F ./localization_tb.F ./maxwell_solver_interface.F ./qs_dispersion_types.F ./input/input_enumeration_types.F ./input/input_section_types.F ./input/cp_parser_ilist_methods.F ./input/cp_parser_types.F ./input/cp_parser_status_types.F ./input/input_keyword_types.F ./input/cp_parser_methods.F ./input/input_parsing.F ./input/cp_parser_inpp_methods.F ./input/cp_output_handling.F ./input/cp_parser_inpp_types.F ./input/cp_linked_list_input.F ./input/cp_parser_ilist_types.F ./input/input_val_types.F ./input/cp_parser_buffer_types.F ./optimize_basis.F ./qs_nonscf.F ./hfx_pw_methods.F ./negf_control_types.F ./dbx/cp_dbcsr_api.F ./semi_empirical_int_debug.F ./min_basis_set.F ./pair_potential_coulomb.F ./gw_small_cell_full_kp.F ./atom_operators.F ./dbm/dbm_tests.F ./dbm/dbm_api.F ./force_fields_ext.F ./dgemm_counter_types.F ./qs_collocate_density.F ./qs_rho0_ggrid.F ./qs_kinetic.F ./qmmmx_create.F ./pao_main.F ./qs_tddfpt2_subgroups.F ./qs_dftb3_methods.F ./qs_force_types.F ./ct_methods.F ./qs_tddfpt2_types.F ./qs_linres_current_utils.F ./xtb_coulomb.F ./qs_core_energies.F ./fist_environment.F ./qs_tddfpt_types.F ./input_cp2k_resp.F ./dm_ls_scf_create.F ./mp2_gpw.F ./qs_linres_module.F ./kpoint_types.F ./molden_utils.F ./almo_scf_types.F ./mscfg_types.F ./f77_interface.F ./qs_mo_types.F ./hirshfeld_methods.F ./input_cp2k_poisson.F ./admm_dm_types.F ./input_cp2k_pwdft.F ./topology.F ./hfx_types.F ./block_p_types.F ./qmmm_per_elpot.F ./semi_empirical_expns3_methods.F ./qs_fxc.F ./qs_rho0_types.F ./embed_environment.F ./qmmm_gpw_energy.F ./hfx_ri.F ./qs_elf_methods.F ./kg_environment_types.F ./fist_nonbond_env_types.F ./topology_constraint_util.F ./dm_ls_chebyshev.F ./pao_methods.F ./input_cp2k_ls.F ./mixed_cdft_utils.F ./molecular_moments.F ./rpa_im_time_force_types.F ./farming_methods.F ./metadyn_tools/graph_methods.F ./metadyn_tools/graph.F ./metadyn_tools/graph_utils.F ./rt_propagation_velocity_gauge.F ./mp2.F ./xas_tdp_atom.F ./topology_amber.F ./atom_set_basis.F ./qs_dispersion_pairpot.F ./input_cp2k_kpoints.F ./input_cp2k_qs.F ./qs_fb_filter_matrix_methods.F ./qs_tddfpt2_soc_utils.F ./pexsi_types.F ./qs_dftb_types.F ./qs_kpp1_env_types.F ./qmmm_gaussian_init.F ./input_cp2k_xas.F ./qs_fb_buffer_types.F ./qs_dcdr.F ./input_cp2k_rsgrid.F ./mp2_ri_grad_util.F ./simpar_types.F ./qs_fb_matrix_data_types.F ./uff_vdw_radii_table.F ./qs_integral_utils.F ./qs_scf_wfn_mix.F ./dbt/tas/dbt_tas_split.F ./dbt/tas/dbt_tas_mm.F ./dbt/tas/dbt_tas_reshape_ops.F ./dbt/tas/dbt_tas_unittest.F ./dbt/tas/dbt_tas_util.F ./dbt/tas/dbt_tas_io.F ./dbt/tas/dbt_tas_base.F ./dbt/tas/dbt_tas_test.F ./dbt/tas/dbt_tas_global.F ./dbt/tas/dbt_tas_types.F ./dbt/dbt_index.F ./dbt/dbt_api.F ./dbt/dbt_block.F ./dbt/dbt_methods.F ./dbt/dbt_allocate_wrap.F ./dbt/dbt_reshape_ops.F ./dbt/dbt_unittest.F ./dbt/dbt_test.F ./dbt/dbt_io.F ./dbt/dbt_split.F ./dbt/dbt_types.F ./dbt/dbt_array_list_methods.F ./swarm/glbopt_input.F ./swarm/swarm_mpi.F ./swarm/swarm_worker.F ./swarm/glbopt_master.F ./swarm/swarm_master.F ./swarm/swarm_message.F ./swarm/glbopt_mincrawl.F ./swarm/swarm_input.F ./swarm/swarm.F ./swarm/glbopt_worker.F ./swarm/glbopt_history.F ./swarm/glbopt_minhop.F ./ewald_methods_tb.F ./fist_nonbond_force.F ./qs_external_density.F ./eip_silicon.F ./qs_ks_qmmm_methods.F ./input_cp2k_nnp.F ./qs_scf_post_gpw.F ./et_coupling.F ./kpoint_methods.F ./qs_linres_epr_ownutils.F ./offload/offload_api.F ./qs_tddfpt2_stda_types.F ./qs_dftb_matrices.F ./constraint_3x3.F ./qs_tddfpt2_densities.F ./free_energy_types.F ./input_cp2k_properties_dft.F ./se_core_matrix.F ./pao_io.F ./ewalds.F ./qs_tddfpt2_forces.F ./manybody_eam.F ./qs_tddfpt_eigensolver.F ./xtb_matrices.F ./qs_tddfpt2_operators.F ./almo_scf_diis_types.F ./fm/cp_linked_list_fm.F ./fm/cp_fm_struct.F ./fm/cp_cfm_types.F ./fm/cp_blacs_types.F ./fm/cp_fm_dlaf_api.F ./fm/cp_fm_basic_linalg.F ./fm/cp_fm_types.F ./fm/cp_cfm_basic_linalg.F ./fm/cp_fm_elpa.F ./fm/cp_dlaf_utils_api.F ./fm/cp_blacs_env.F ./fm/cp_cfm_diag.F ./fm/cp_fm_pool_types.F ./fm/cp_fm_cusolver_api.F ./fm/cp_fm_diag.F ./fm/cp_fm_diag_utils.F ./fm/cp_fm_cholesky.F ./pair_potential.F ./input_cp2k_neb.F ./ec_methods.F ./input_cp2k_external.F ./nnp_force.F ./qs_scf_methods.F ./rel_control_types.F ./admm_utils.F ./qs_wf_history_types.F ./hfx_helpers.F ./cp_control_types.F ./pao_linpot_rotinv.F ./topology_util.F ./colvar_utils.F ./ipi_environment.F ./input_cp2k_check.F ./qs_fb_atomic_halo_types.F ./embed_main.F ./input_cp2k_motion_print.F ./xc_adiabatic_utils.F ./molecular_states.F ./negf_integr_cc.F ./lri_integrals.F ./qs_active_space_utils.F ./topology_pdb.F ./qs_dcdr_ao.F ./cp_dbcsr_output.F ./qs_elec_field.F ./qs_wf_history_methods.F ./mao_types.F ./preconditioner.F ./dkh_main.F ./pao_ml_gaussprocess.F ./qs_neighbor_lists.F ./almo_scf.F ./mm_mapping_library.F ./qs_loc_main.F ./qs_loc_molecules.F ./al_system_types.F ./qs_band_structure.F ./mixed_cdft_types.F ./iterate_matrix.F ./qs_tddfpt2_soc.F ./mdctrl_types.F ./input_cp2k_restarts_util.F ./fp_methods.F ./qs_scf_post_se.F ./preconditioner_makes.F ./input_cp2k_constraints.F ./population_analyses.F ./mscfg_methods.F ./mp2_optimize_ri_basis.F ./kg_tnadd_mat.F ./qs_spin_orbit.F ./ipi_environment_types.F ./manybody_quip.F ./hfx_admm_utils.F ./topology_cif.F ./input_cp2k_subsys.F ./rpa_main.F ./qs_scf_initialization.F ./xas_tdp_methods.F ./pexsi_methods.F ./cp_ddapc_util.F ./qs_matrix_pools.F ./qs_basis_gradient.F ./kpoint_coulomb_2c.F ./gw_utils.F ./hfx_exx.F ./input_cp2k_voronoi.F ./qs_fermi_contact.F ./rpa_grad.F ./qs_tddfpt2_methods.F ./input_cp2k_free_energy.F ./ewalds_multipole.F ./optimize_basis_utils.F ./qs_linres_issc_utils.F ./qs_commutators.F ./atom_pseudo.F ./mp2_ri_grad.F ./input_cp2k_field.F ./hartree_local_types.F ./metadynamics.F ./dbcsrx/dbcsr_vector.F ./qmmm_image_charge.F ./preconditioner_types.F ./cp_symmetry.F ./eip_environment_types.F ./transport_env_types.F ./manybody_nequip.F ./mixed_environment_utils.F ./qs_interactions.F ./libint_wrapper.F ./input_cp2k_qmmm.F ./mp2_gpw_method.F ./manybody_tersoff.F ./qs_ot.F ./common/physcon.F ./common/whittaker.F ./common/list_timerenv.F ./common/structure_factor_types.F ./common/cp_array_sort.F ./common/lapack.F ./common/bibliography.F ./common/powell.F ./common/cp_result_types.F ./common/routine_map.F ./common/timings_types.F ./common/d3_poly.F ./common/linear_systems.F ./common/string_table.F ./common/timings.F ./common/cp_files.F ./common/cp_iter_types.F ./common/parallel_rng_types_unittest.F ./common/list_routinereport.F ./common/bessel_lib.F ./common/cp_result_methods.F ./common/spherical_harmonics.F ./common/memory_utilities_unittest.F ./common/fparser.F ./common/kahan_sum.F ./common/parallel_rng_types.F ./common/periodic_table.F ./common/gamma.F ./common/cp_array_utils.F ./common/util.F ./common/list.F ./common/list_callstackentry.F ./common/t_c_g0.F ./common/cp_units.F ./common/list_routinestat.F ./common/reference_manager.F ./common/cg_test.F ./common/print_messages.F ./common/splines.F ./common/timings_base_type.F ./common/structure_factors.F ./common/distribution_1d_types.F ./common/memory_utilities.F ./common/eigenvalueproblems.F ./common/cp_log_handling.F ./common/t_sh_p_s_c.F ./common/timings_report.F ./common/callgraph.F ./common/mathconstants.F ./common/mathlib.F ./common/string_utilities.F ./common/cp_error_handling.F ./common/cp_min_heap.F ./common/lebedev.F ./qs_p_env_types.F ./xtb_ehess_force.F ./efield_tb_methods.F ./negf_integr_utils.F ./qs_density_matrices.F ./qs_kernel_methods.F ./metadynamics_types.F ./hfx_libint_interface.F ./kpoint_io.F ./mpiwrap/message_passing.F ./mpiwrap/mp_perf_test.F ./mpiwrap/mp_perf_env.F ./input_cp2k_hfx.F ./mp2_setup.F ./qs_block_davidson_types.F ./dm_ls_scf.F ./surface_dipole.F ./qs_linres_nmr_epr_common_utils.F ./qs_rho_types.F ./dm_ls_scf_types.F ./pao_types.F ./pwdft_environment.F ./negf_alloc_types.F ./qs_neighbor_list_types.F ./qs_o3c_types.F ./qs_efield_local.F ./qs_ot_types.F ./cp_ddapc_types.F ./atom_output.F ./ri_environment_methods.F ./xas_tdp_kernel.F ./qs_ks_apply_restraints.F ./iao_types.F ./qs_cdft_opt_types.F ./qmmmx_util.F ./domain_submatrix_methods.F ./arnoldi/arnoldi_methods.F ./arnoldi/arnoldi_api.F ./arnoldi/arnoldi_data_methods.F ./arnoldi/arnoldi_geev.F ./arnoldi/arnoldi_types.F ./qs_kind_types.F ./post_scf_bandstructure_methods.F ./mp2_ri_libint.F ./ipi_server.F ./qmmmx_update.F ./wannier90.F ./input_cp2k_tb.F ./fist_neighbor_list_types.F ./xas_env_types.F ./ewald_pw_types.F ./qcschema.F ./bse_full_diag.F ./minimax/minimax_exp.F ./minimax/minimax_exp_k53.F ./minimax/minimax_rpa.F ./minimax/minimax_exp_gw.F ./minimax/minimax_exp_k15.F ./stm_images.F ./constraint_4x6.F ./generic_os_integrals.F ./force_env_methods.F ./qs_cdft_types.F ./pw_env/rs_pw_interface.F ./pw_env/cp_spline_utils.F ./pw_env/gaussian_gridlevels.F ./pw_env/pw_env_types.F ./qs_environment_methods.F ./qs_tddfpt2_fhxc_forces.F ./qs_ks_utils.F ./qs_resp.F ./qs_tensors.F ./qs_dispersion_utils.F ./input_cp2k_atom.F ./ec_efield_local.F ./semi_empirical_parameters.F ./input_cp2k_print_dft.F ./topology_connectivity_util.F ./wannier_states.F ./cryssym.F ./tip_scan_methods.F ./qs_matrix_w.F ./lri_environment_types.F ./qs_ks_methods.F ./qmmm_links_methods.F ./pao_optimizer.F ./qs_2nd_kernel_ao.F ./input_cp2k_distribution.F ./input_optimize_basis.F ./atom_types.F ./qmmm_se_energy.F ./mixed_cdft_methods.F ./qs_ks_reference.F ./splines_methods.F ./grid/grid_api.F ./qs_scf_lanczos.F ./core_ppl.F ./qs_kpp1_env_methods.F ./mm_collocate_potential.F ./hartree_local_methods.F ./statistical_methods.F ./topology_xyz.F ./fist_force.F ./qmmm_ff_fist.F ./qs_vcd_ao.F ./input_cp2k_read.F ./qs_integrate_potential_single.F ./scf_control_types.F ./environment.F ./almo_scf_lbfgs_types.F ./kpsym.F ./library_tests.F ./qs_dftb_dispersion.F ./qs_electric_field_gradient.F ./nnp_model.F ./constraint_clv.F ./input_cp2k_opt.F ./gw_integrals.F ./se_core_core.F ./qs_scf_csr_write.F ./force_field_types.F ./pw_env_methods.F ./qs_energy_init.F ./cp2k_info.F ./qs_subsys_methods.F ./semi_empirical_integrals.F ./qs_mo_methods.F ./qs_efield_berry.F ./cp_realspace_grid_init.F ./atom_kind_orbitals.F ./mp2_types.F ./embed_types.F ./qs_condnum.F ./qs_fb_env_methods.F ./exclusion_types.F ./fist_environment_types.F ./ec_orth_solver.F ./ed_analysis.F ./pwdft_environment_types.F ./qs_rho_atom_methods.F ./local_gemm_api.F ./grrm_utils.F ./qs_dcdr_utils.F ./constraint_util.F ./qs_tddfpt2_soc_types.F ./hfx_ri_kp.F ./task_list_methods.F ./splines_types.F ./mao_wfn_analysis.F ./semi_empirical_par_utils.F ./qs_linres_op.F ./xc_write_output.F ./qs_ks_types.F ./ewald_spline_util.F ./qs_gcp_types.F ./input_cp2k_colvar.F ./qmmm_types.F ./qmmmx_types.F ./negf_integr_simpson.F ./atoms_input.F ./extended_system_types.F ./qs_atomic_block.F ./kg_vertex_coloring_methods.F ./topology_multiple_unit_cell.F ./qs_ot_eigensolver.F ./qs_diis_types.F ./qs_fb_input.F ./hfx_derivatives.F ./rtp_admm_methods.F ./mp2_integrals.F ./fist_pol_scf.F ./qs_hash_table_functions.F ./qs_mo_occupation.F ./qs_scf_post_tb.F ./particle_methods.F ./pao_ml_descriptor.F ./xas_tdp_correction.F ./pao_potentials.F ./almo_scf_env_methods.F ./xtb_ehess.F ./qs_subsys_types.F ./qs_vcd_utils.F ./input_cp2k_force_eval.F ./topology_cp2k.F ./rmsd.F ./xas_restart.F ./gapw_1c_basis_set.F ./group_dist_types.F ./integration_grid_types.F ./input_cp2k_as.F ./commutator_rpnl.F ./force_fields_input.F ./qs_p_env_methods.F ./energy_corrections.F ./cp2k_debug.F ./mao_methods.F ./minbas_methods.F ./libgrpp_integrals.F ./hfxbase/hfx_compression_core_methods.F ./hfxbase/hfx_contract_block.F ./hfxbase/hfx_contraction_methods.F ./dm_ls_scf_curvy.F ./core_ppnl.F ./linesearch.F ./mixed_environment.F ./qs_ot_scf.F ./input_cp2k_loc.F ./topology_generate_util.F ./qs_force.F ./qs_linres_current.F ./semi_empirical_int_gks.F ./topology_types.F ./se_fock_matrix.F ./dft_plus_u.F ./mp2_ri_2c.F ./xas_tdp_types.F ./manybody_allegro.F ./qs_gamma2kp.F ./debug_os_integrals.F ./qs_nl_hash_table_types.F ./topology_gromos.F ./eri_mme/eri_mme_types.F ./eri_mme/eri_mme_test.F ./eri_mme/eri_mme_lattice_summation.F ./eri_mme/eri_mme_integrate.F ./eri_mme/eri_mme_error_control.F ./eri_mme/eri_mme_util.F ./eri_mme/eri_mme_gaussian.F ./rpa_im_time.F ./input_cp2k_dft.F ./hfx_screening_methods.F ./qs_initial_guess.F ./qs_localization_methods.F ./ct_types.F ./kpoint_transitional.F ./fermi_utils.F ./fp_types.F ./mulliken.F ./input_cp2k_se.F ./molsym.F ./pao_ml_neuralnet.F ./atom_utils.F ./mixed_energy_types.F ./cell_methods.F ./bse_util.F ./qs_scf_diagonalization.F ./qs_overlap.F ./domain_submatrix_types.F ./qs_tddfpt2_fhxc.F ./preconditioner_solvers.F ./qs_vxc.F ./input_cp2k_mm.F ./optimize_input.F ./atom_fit.F ./force_fields_all.F ./admm_types.F ./distribution_methods.F ./qs_tddfpt2_properties.F ./qs_epr_hyp.F ./ec_environment.F ./semi_empirical_int_num.F ./qs_external_potential.F ./manybody_gal21.F ./negf_green_methods.F ./qs_tddfpt2_assign.F ./qs_energy_window.F ./force_env_utils.F ./input_cp2k_embed.F ./pao_param_exp.F ./qmmm_force.F ./response_solver.F ./qs_operators_ao.F ./input_cp2k_ec.F ./shg_int/construct_shg.F ./shg_int/generic_shg_integrals_init.F ./shg_int/s_contract_shg.F ./shg_int/generic_shg_integrals.F ./shg_int/constants_operator.F ./qs_loc_methods.F ./qs_loc_types.F ./admm_methods.F ./rpa_gw.F ./manybody_potential.F ./pao_param.F ./post_scf_bandstructure_types.F ./cp_subsys_methods.F ./qs_ot_minimizer.F ./cp_external_control.F ./qmmm_gaussian_types.F ./qs_scf_block_davidson.F ./qs_linres_types.F ./rpa_gw_im_time_util.F ./xc_pot_saop.F ./csvr_system_utils.F ./matrix_exp.F ./rpa_exchange.F ./qs_integrate_potential_product.F ./constraint.F ./parallel_gemm_api.F ./ipi_driver.F ./pilaenv_hack.F ./s_square_methods.F ./mol_force.F ./optimize_dmfet_potential.F ./qs_environment.F ./optimize_basis_types.F ./input_constants.F ./qs_linres_atom_current.F ./basis_set_output.F ./submatrix_types.F ./lri_forces.F ./qs_wannier90.F ./qs_gcp_method.F ./fist_neighbor_list_control.F ./qs_pdos.F ./se_fock_matrix_coulomb.F ./deepmd_wrapper.F ./qs_fb_trial_fns_types.F ./semi_empirical_utils.F ./nnp_environment_types.F ./wannier_states_types.F ./qs_dispersion_nonloc.F ./cp_ddapc_methods.F ./pair_potential_types.F ./semi_empirical_int_arrays.F ./rpa_util.F ./core_ae.F ./qs_cdft_utils.F ./qs_fb_distribution_methods.F ./qs_mixing_utils.F ./qmmm_types_low.F ./et_coupling_proj.F ./replica_methods.F ./virial_methods.F ./qs_mom_methods.F ./lri_environment_init.F ./negf_env_types.F ./gw_kp_to_real_space_and_back.F ./qs_mom_types.F ./motion_utils.F ./qs_dftb_coulomb.F ./qs_tddfpt2_fprint.F ./input_optimize_input.F ./qs_linres_kernel.F ./qs_harmonics_atom.F ./external_potential_methods.F ./ls_matrix_exp.F ./lri_optimize_ri_basis_types.F ./lri_compression.F ./qs_tddfpt_module.F ./qmmm_pw_grid.F ./hfx_compression_methods.F ./cp_dbcsr_cholesky.F ./qs_scf.F ./qmmm_gpw_forces.F ./auto_basis.F ./qs_dispersion_d4.F ./kg_correction.F ./hfx_load_balance_methods.F ./atom_sgp.F ./cp_realspace_grid_cube.F ./outer_scf_control_types.F ./nequip_unittest.F ./farming_types.F ./header.F ./colvar_methods.F ./optbas_opt_utils.F ./commutator_rkinetic.F ./topology_xtl.F ./input_cp2k_almo.F ./preconditioner_apply.F ./excited_states.F ./input_cp2k_atprop.F ./semi_empirical_expns3_types.F ./emd/rt_propagator_init.F ./emd/rt_propagation_utils.F ./emd/rt_delta_pulse.F ./emd/rt_make_propagators.F ./emd/rt_propagation_output.F ./emd/rt_propagation_methods.F ./emd/rt_projection_mo_utils.F ./emd/rt_hfx_utils.F ./soc_pseudopotential_methods.F ./rpa_gw_kpoints_util.F ./qs_loc_utils.F ./constraint_fxd.F ./input_cp2k_binary_restarts.F ./topology_input.F ./lri_ks_methods.F ./task_list_types.F ./bse_main.F ./qmmm_topology_util.F ./qs_energy_utils.F ./sap_kind_types.F ./gw_communication.F ./almo_scf_qs.F ./xas_tdp_integrals.F ./bse_iterative.F ./hirshfeld_types.F ./qs_diis.F ./taper_types.F ./mp2_eri.F ./qs_tddfpt2_utils.F ./aobasis/ao_util.F ./aobasis/ai_operator_ra2m.F ./aobasis/ai_kinetic.F ./aobasis/ai_eri_debug.F ./aobasis/ai_contraction.F ./aobasis/ai_overlap_ppl.F ./aobasis/basis_set_container_types.F ./aobasis/ai_overlap3.F ./aobasis/ai_os_rr.F ./aobasis/soft_basis_set.F ./aobasis/ai_coulomb.F ./aobasis/aux_basis_set.F ./aobasis/orbital_transformation_matrices.F ./aobasis/basis_set_types.F ./aobasis/ai_overlap3_debug.F ./aobasis/ai_overlap_aabb.F ./aobasis/sto_ng.F ./aobasis/ai_derivatives.F ./aobasis/ai_spin_orbit.F ./aobasis/ai_verfc.F ./aobasis/orbital_symbols.F ./aobasis/ai_fermi_contact.F ./aobasis/ai_overlap_debug.F ./aobasis/ai_contraction_sphi.F ./aobasis/ai_operators_r12.F ./aobasis/ai_oneelectron.F ./aobasis/paw_basis_types.F ./aobasis/ai_coulomb_test.F ./aobasis/orbital_pointers.F ./aobasis/ai_elec_field.F ./aobasis/ai_onecenter.F ./aobasis/ai_moments.F ./aobasis/ai_angmom.F ./aobasis/ai_overlap.F ./qs_update_s_mstruct.F ./base/machine.F ./base/kinds.F ./base/base_hooks.F ./submatrix_dissection.F ./ex_property_calculation.F ./sockets_interface.F ./force_fields.F ./manybody_siepmann.F ./gle_system_types.F ./cp_dbcsr_diag.F ./qs_scf_loop_utils.F ./atom.F ./qmmm_gaussian_data.F ./qs_linres_nmr_utils.F ./pao_linpot_full.F ./xas_methods.F ./pao_ml.F ./mao_optimizer.F ./qs_linres_methods.F ./qs_tddfpt2_stda_utils.F ./pair_potential_util.F ./semi_empirical_int_ana.F ./negf_subgroup_types.F ./qs_energy_matrix_w.F ./qs_fb_atomic_matrix_methods.F ./negf_methods.F ./iao_analysis.F ./xc_adiabatic_methods.F ./almo_scf_methods.F ./cp_ddapc_forces.F ./lri_optimize_ri_basis.F ./qs_chargemol.F ./qs_cdft_scf_utils.F ./cp_ddapc.F ./restraint.F ./mp2_cphf.F ./graphcon.F ./qs_linres_epr_utils.F ./rt_propagation_types.F ./beta_gamma_psi.F ./topology_psf.F ./qmmm_util.F ./qs_rho_atom_types.F ./pao_param_gth.F ./qs_rho0_methods.F ./xtb_types.F ./qs_vcd.F ./semi_empirical_types.F ./start/input_cp2k.F ./start/libcp2k.F ./start/input_cp2k_motion.F ./start/cp2k.F ./start/cp2k_shell.F ./start/cp2k_runs.F ./qs_tddfpt_utils.F ./pao_param_methods.F ./transport.F ./qs_loc_dipole.F ./subcell_types.F ./mp2_laplace.F ./negf_matrix_utils.F ./se_fock_matrix_exchange.F ./input_cp2k_mp2.F ./xtb_parameters.F ./cp_control_utils.F ./qs_sccs.F ./qs_mo_io.F ./scine_utils.F ./kg_environment.F ./qs_linres_polar_utils.F ./hfx_pair_list_methods.F ./rpa_gw_ic.F ./lri_environment_methods.F ./xas_control.F ./cp_eri_mme_interface.F ./qmmm_gaussian_input.F ./input_cp2k_mixed.F ./qs_outer_scf.F ./qs_o3c_methods.F ./qs_local_properties.F ./mixed_environment_types.F ./qmmm_create.F ./global_types.F ./qs_ks_qmmm_types.F ./cp_dbcsr_cp2k_link.F ./fist_main.F ./optbas_fenv_manipulation.F ./qs_vxc_atom.F ./torch_api.F ./qs_basis_rotation_methods.F ./negf_vectors.F ./qs_energy.F ./qs_oce_methods.F ./qs_oce_types.F ./mp2_grids.F ./mixed_main.F ./qs_loc_states.F ./soc_pseudopotential_utils.F ./hdf5_wrapper.F ./hfx_communication.F ./atom_electronic_structure.F ./semi_empirical_mpole_types.F ./xas_tp_scf.F ./input_cp2k_transport.F ./qs_linres_nmr_shift.F ./qs_active_space_types.F ./almo_scf_optimizer.F ./fist_efield_methods.F ./tmc/tmc_messages.F ./tmc/tmc_tree_search.F ./tmc/tmc_worker.F ./tmc/tmc_setup.F ./tmc/tmc_tree_acceptance.F ./tmc/tmc_stati.F ./tmc/tmc_tree_types.F ./tmc/tmc_moves.F ./tmc/tmc_tree_build.F ./tmc/tmc_move_handle.F ./tmc/tmc_file_io.F ./tmc/tmc_types.F ./tmc/tmc_master.F ./tmc/tmc_analysis_types.F ./tmc/tmc_calculations.F ./tmc/tmc_cancelation.F ./tmc/tmc_move_types.F ./tmc/tmc_dot_tree.F ./tmc/tmc_analysis.F ./tmc/tmc_tree_references.F ./tmc/input_cp2k_tmc.F ./tmc/tmc_utils.F ./input_cp2k_negf.F ./bsse.F ./qs_integrate_potential.F ./se_fock_matrix_dbg.F ./input_cp2k_projection_rtp.F ./qs_fb_com_tasks_types.F ./semi_empirical_mpole_methods.F ./atom_basis.F ./paw_proj_set_types.F ./nnp_environment.F ./moments_utils.F ./atom_energy.F ./pao_param_linpot.F ./pw/gpu/pw_gpu_internal.c ./pw/fpga/fft_fpga.c ./pw/fpga/opencl_utils.c ./dbm/dbm_multiply_cpu.c ./dbm/dbm_library.c ./dbm/dbm_multiply_gpu.c ./dbm/dbm_mempool.c ./dbm/dbm_shard.c ./dbm/dbm_multiply.c ./dbm/dbm_matrix.c ./dbm/dbm_multiply_opencl.c ./dbm/dbm_multiply_comm.c ./dbm/dbm_miniapp.c ./dbm/dbm_distribution.c ./dbm/dbm_mpi.c ./offload/offload_buffer.c ./offload/offload_library.c ./fm/cp_fm_cusolver.c ./sockets.c ./grid/dgemm/grid_dgemm_collocate.c ./grid/dgemm/grid_dgemm_collocation_integration.c ./grid/dgemm/grid_dgemm_tensor_local.c ./grid/dgemm/grid_dgemm_prepare_pab.c ./grid/dgemm/grid_dgemm_coefficients.c ./grid/dgemm/grid_dgemm_utils.c ./grid/dgemm/grid_dgemm_integrate.c ./grid/dgemm/grid_dgemm_context.c ./grid/dgemm/grid_dgemm_non_orthorombic_corrections.c ./grid/grid_task_list.c ./grid/common/grid_sphere_cache.c ./grid/common/grid_basis_set.c ./grid/common/grid_library.c ./grid/ref/grid_ref_prepare_pab.c ./grid/ref/grid_ref_collocate.c ./grid/ref/grid_ref_integrate.c ./grid/ref/grid_ref_task_list.c ./grid/grid_miniapp.c ./grid/cpu/grid_cpu_integrate.c ./grid/cpu/grid_cpu_task_list.c ./grid/cpu/grid_cpu_prepare_pab.c ./grid/cpu/grid_cpu_collocate.c ./grid/grid_replay.c ./grid/grid_unittest.c ./base/machine_cpuid.c ./start/libcp2k_unittest.c /build/reproducible-path/cp2k-2024.2/src/torch_c_api.cpp
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/makedep.py /build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep cp2k "lower" "normal" .a /build/reproducible-path/cp2k-2024.2/src ./hfx_screening_methods.F ./qs_vcd.F ./emd/rt_propagator_init.F ./emd/rt_propagation_utils.F ./emd/rt_delta_pulse.F ./emd/rt_make_propagators.F ./emd/rt_hfx_utils.F ./emd/rt_propagation_output.F ./emd/rt_projection_mo_utils.F ./emd/rt_propagation_methods.F ./min_basis_set.F ./eip_environment_types.F ./input_cp2k_mixed.F ./eri_mme/eri_mme_error_control.F ./eri_mme/eri_mme_test.F ./eri_mme/eri_mme_types.F ./eri_mme/eri_mme_integrate.F ./eri_mme/eri_mme_gaussian.F ./eri_mme/eri_mme_lattice_summation.F ./eri_mme/eri_mme_util.F ./xtb_ehess_force.F ./input_cp2k_projection_rtp.F ./arnoldi/arnoldi_api.F ./arnoldi/arnoldi_data_methods.F ./arnoldi/arnoldi_types.F ./arnoldi/arnoldi_geev.F ./arnoldi/arnoldi_methods.F ./input/cp_parser_ilist_methods.F ./input/cp_parser_status_types.F ./input/input_val_types.F ./input/input_keyword_types.F ./input/cp_linked_list_input.F ./input/input_parsing.F ./input/cp_parser_inpp_types.F ./input/cp_parser_methods.F ./input/input_enumeration_types.F ./input/cp_parser_inpp_methods.F ./input/cp_parser_ilist_types.F ./input/cp_output_handling.F ./input/input_section_types.F ./input/cp_parser_types.F ./input/cp_parser_buffer_types.F ./pao_ml_neuralnet.F ./qs_tddfpt_module.F ./semi_empirical_mpole_types.F ./atom_sgp.F ./lri_environment_methods.F ./input_cp2k_eip.F ./qs_epr_hyp.F ./qs_interactions.F ./molecular_moments.F ./atom_kind_orbitals.F ./qs_kernel_types.F ./ed_analysis.F ./input_restart_force_eval.F ./input_cp2k_se.F ./outer_scf_control_types.F ./input_cp2k_colvar.F ./pw/dielectric_types.F ./pw/pw_grids.F ./pw/realspace_grid_types.F ./pw/cube_utils.F ./pw/mt_util.F ./pw/fft_tools.F ./pw/pw_grid_types.F ./pw/ps_implicit_types.F ./pw/ps_wavelet_util.F ./pw/dg_types.F ./pw/cp_linked_list_pw.F ./pw/dct.F ./pw/pw_spline_utils.F ./pw/dg_rho0_types.F ./pw/dirichlet_bc_methods.F ./pw/dielectric_methods.F ./pw/pw_copy_all.F ./pw/ps_wavelet_scaling_function.F ./pw/ps_implicit_methods.F ./pw/fft/fft_lib.F ./pw/fft/fftw3_lib.F ./pw/fft/fftsg_lib.F ./pw/fft/fft_kinds.F ./pw/fft/mltfftsg_tools.F ./pw/fft/fft_plan.F ./pw/pw_poisson_types.F ./pw/dgs.F ./pw/pw_pool_types.F ./pw/ps_wavelet_fft3d.F ./pw/pw_fpga.F ./pw/ps_wavelet_kernel.F ./pw/lazy.F ./pw/realspace_grid_cube.F ./pw/ps_wavelet_methods.F ./pw/rs_methods.F ./pw/dirichlet_bc_types.F ./pw/pw_poisson_methods.F ./pw/ps_wavelet_types.F ./pw/pw_grid_info.F ./pw/pw_methods.F ./pw/ps_wavelet_base.F ./pw/pw_types.F ./pw/pw_gpu.F ./minbas_methods.F ./qs_tddfpt2_eigensolver.F ./qs_p_env_methods.F ./qs_oce_types.F ./qs_grid_atom.F ./fist_efield_types.F ./xc/xc_derivative_set_types.F ./xc/xc_vwn.F ./xc/xc_xbeef.F ./xc/xc_derivative_types.F ./xc/xc_xalpha.F ./xc/xc_xwpbe.F ./xc/xc_atom.F ./xc/xc_cs1.F ./xc/xc_derivatives.F ./xc/xc_perdew_zunger.F ./xc/xc_lyp.F ./xc/xc_xbecke88_lr_adiabatic.F ./xc/xc.F ./xc/xc_xbr_pbe_lda_hole_t_c_lr.F ./xc/xc_thomas_fermi.F ./xc/cp_linked_list_xc_deriv.F ./xc/xc_rho_set_types.F ./xc/xc_hcth.F ./xc/xc_fxc_kernel.F ./xc/xc_perdew_wang.F ./xc/xc_xlda_hole_t_c_lr.F ./xc/xc_pbe.F ./xc/xc_lyp_adiabatic.F ./xc/xc_input_constants.F ./xc/xc_b97_fxc.F ./xc/xc_xbecke_roussel.F ./xc/xc_xbecke88_long_range.F ./xc/xc_xbecke88.F ./xc/xc_libxc.F ./xc/xc_perdew86.F ./xc/xc_optx.F ./xc/xc_pade.F ./xc/xc_rho_cflags_types.F ./xc/xc_libxc_wrap.F ./xc/xc_tfw.F ./xc/xc_tpss.F ./xc/xc_util.F ./xc/xc_b97.F ./xc/xc_functionals_utilities.F ./xc/xc_ke_gga.F ./xc/xc_exchange_gga.F ./xc/xc_xpbe_hole_t_c_lr.F ./xc/xc_derivative_desc.F ./qs_tddfpt2_lri_utils.F ./soc_pseudopotential_methods.F ./semi_empirical_int_utils.F ./pao_param_linpot.F ./qs_atomic_block.F ./input_cp2k_hfx.F ./particle_methods.F ./metadynamics_types.F ./qs_energy.F ./xc_write_output.F ./semi_empirical_expns3_methods.F ./qs_rho_types.F ./qs_mom_methods.F ./input_cp2k_ec.F ./fist_nonbond_force.F ./mp2_ri_libint.F ./ipi_driver.F ./constraint_vsite.F ./pair_potential_types.F ./qs_gcp_types.F ./rpa_exchange.F ./hfx_pw_methods.F ./qs_ot.F ./qs_subsys_methods.F ./xas_tdp_atom.F ./almo_scf_lbfgs_types.F ./qs_tddfpt2_fhxc_forces.F ./input_cp2k_read.F ./pme_tools.F ./topology_gromos.F ./mscfg_types.F ./qs_cdft_types.F ./rpa_gw_sigma_x.F ./qs_tddfpt2_stda_utils.F ./qs_kinetic.F ./force_fields_all.F ./qs_dftb_utils.F ./semi_empirical_utils.F ./gle_system_types.F ./qs_active_space_utils.F ./xtb_ehess.F ./s_square_methods.F ./metadyn_tools/graph_methods.F ./metadyn_tools/graph.F ./metadyn_tools/graph_utils.F ./input_restart_rng.F ./ipi_server.F ./almo_scf_env_methods.F ./qs_matrix_pools.F ./qmmm_gpw_forces.F ./base/machine.F ./base/kinds.F ./base/base_hooks.F ./qs_mfp.F ./dbm/dbm_tests.F ./dbm/dbm_api.F ./qs_collocate_density.F ./semi_empirical_store_int_types.F ./negf_control_types.F ./domain_submatrix_methods.F ./shg_integrals_test.F ./mpiwrap/mp_perf_test.F ./mpiwrap/message_passing.F ./mpiwrap/mp_perf_env.F ./header.F ./replica_methods.F ./pw_env/gaussian_gridlevels.F ./pw_env/pw_env_types.F ./pw_env/rs_pw_interface.F ./pw_env/cp_spline_utils.F ./hfxbase/hfx_contract_block.F ./hfxbase/hfx_contraction_methods.F ./hfxbase/hfx_compression_core_methods.F ./qs_gamma2kp.F ./mixed_environment.F ./common/cp_result_types.F ./common/splines.F ./common/list.F ./common/string_utilities.F ./common/routine_map.F ./common/cp_error_handling.F ./common/bibliography.F ./common/cp_iter_types.F ./common/callgraph.F ./common/eigenvalueproblems.F ./common/bessel_lib.F ./common/powell.F ./common/mathlib.F ./common/periodic_table.F ./common/mathconstants.F ./common/cp_units.F ./common/timings_types.F ./common/timings.F ./common/cp_log_handling.F ./common/lapack.F ./common/timings_base_type.F ./common/physcon.F ./common/lebedev.F ./common/linear_systems.F ./common/list_routinereport.F ./common/reference_manager.F ./common/spherical_harmonics.F ./common/print_messages.F ./common/parallel_rng_types_unittest.F ./common/whittaker.F ./common/cg_test.F ./common/kahan_sum.F ./common/t_c_g0.F ./common/d3_poly.F ./common/cp_array_utils.F ./common/list_callstackentry.F ./common/cp_result_methods.F ./common/parallel_rng_types.F ./common/cp_files.F ./common/timings_report.F ./common/cp_array_sort.F ./common/memory_utilities.F ./common/cp_min_heap.F ./common/gamma.F ./common/t_sh_p_s_c.F ./common/string_table.F ./common/structure_factor_types.F ./common/list_routinestat.F ./common/list_timerenv.F ./common/fparser.F ./common/util.F ./common/distribution_1d_types.F ./common/structure_factors.F ./common/memory_utilities_unittest.F ./input_cp2k_rsgrid.F ./surface_dipole.F ./qmmm_tb_coulomb.F ./optimize_basis_utils.F ./group_dist_types.F ./pair_potential.F ./lri_integrals.F ./input_cp2k_negf.F ./et_coupling_proj.F ./qs_local_rho_types.F ./input_cp2k_field.F ./xas_methods.F ./debug_os_integrals.F ./nequip_unittest.F ./input_cp2k_free_energy.F ./force_env_utils.F ./csvr_system_utils.F ./input_cp2k_global.F ./excited_states.F ./mode_selective.F ./pao_io.F ./manybody_potential.F ./dgemm_counter_types.F ./negf_vectors.F ./qs_tddfpt_types.F ./embed_main.F ./semi_empirical_int3_utils.F ./mp2_eri.F ./gw_main.F ./qs_fb_filter_matrix_methods.F ./hirshfeld_types.F ./hfx_ri_kp.F ./kpsym.F ./pw_env_methods.F ./topology_util.F ./kpoint_transitional.F ./input_cp2k_check.F ./gapw_1c_basis_set.F ./qs_block_davidson_types.F ./task_list_types.F ./semi_empirical_expns3_types.F ./atom_fit.F ./qs_ks_reference.F ./hfx_communication.F ./post_scf_bandstructure_utils.F ./submatrix_dissection.F ./semi_empirical_int_gks.F ./bse_full_diag.F ./qs_dispersion_pairpot.F ./qs_tensors.F ./molecular_dipoles.F ./topology_multiple_unit_cell.F ./fermi_utils.F ./pao_linpot_full.F ./optimize_embedding_potential.F ./negf_atom_map.F ./ct_types.F ./qs_dcdr_ao.F ./hfx_pair_list_methods.F ./topology_types.F ./rmsd.F ./qmmm_gaussian_init.F ./qs_density_mixing_types.F ./post_scf_bandstructure_methods.F ./hfx_libint_interface.F ./qs_kpp1_env_methods.F ./xas_tdp_utils.F ./qs_mom_types.F ./qs_scf_csr_write.F ./kpoint_methods.F ./input_cp2k_nnp.F ./se_fock_matrix_exchange.F ./atom_utils.F ./qs_diis.F ./mp2_types.F ./tmc/tmc_utils.F ./tmc/tmc_master.F ./tmc/tmc_tree_types.F ./tmc/tmc_moves.F ./tmc/tmc_move_types.F ./tmc/tmc_analysis_types.F ./tmc/tmc_stati.F ./tmc/tmc_cancelation.F ./tmc/tmc_move_handle.F ./tmc/tmc_file_io.F ./tmc/tmc_analysis.F ./tmc/tmc_tree_build.F ./tmc/tmc_messages.F ./tmc/tmc_dot_tree.F ./tmc/tmc_tree_acceptance.F ./tmc/tmc_types.F ./tmc/tmc_tree_search.F ./tmc/tmc_tree_references.F ./tmc/tmc_setup.F ./tmc/input_cp2k_tmc.F ./tmc/tmc_calculations.F ./tmc/tmc_worker.F ./rpa_im_time.F ./cp2k_debug.F ./qs_mixing_utils.F ./qs_efield_local.F ./bse_main.F ./lri_environment_init.F ./qs_active_space_types.F ./qs_fb_env_types.F ./pao_param_fock.F ./cp_subsys_methods.F ./mixed_cdft_utils.F ./qs_linres_kernel.F ./beta_gamma_psi.F ./external_potential_methods.F ./hfx_energy_potential.F ./pao_optimizer.F ./atom_energy.F ./mp2_gpw_method.F ./input_cp2k_ls.F ./lri_optimize_ri_basis_types.F ./input_cp2k_atprop.F ./cp_ddapc_types.F ./input_cp2k_force_eval.F ./qs_initial_guess.F ./qs_linres_module.F ./qs_linres_current_utils.F ./rpa_main.F ./qs_dftb_matrices.F ./pexsi_interface.F ./qs_force_types.F ./input_cp2k_almo.F ./qs_neighbor_list_types.F ./dm_ls_chebyshev.F ./response_solver.F ./pao_param_methods.F ./atom.F ./qmmm_image_charge.F ./environment.F ./qs_gcp_method.F ./mp2_grids.F ./qs_mo_types.F ./extended_system_types.F ./qs_p_env_types.F ./qs_efield_berry.F ./qs_nonscf.F ./qmmm_util.F ./qs_wannier90.F ./cp_eri_mme_interface.F ./qs_tddfpt2_methods.F ./ec_orth_solver.F ./qs_loc_main.F ./xray_diffraction.F ./qmmm_pw_grid.F ./deepmd_wrapper.F ./pexsi_methods.F ./gw_kp_to_real_space_and_back.F ./xas_restart.F ./qs_scf_post_tb.F ./sirius_interface.F ./xas_tdp_kernel.F ./qmmm_gpw_energy.F ./qs_loc_methods.F ./input_constants.F ./minbas_wfn_analysis.F ./pao_main.F ./qs_pdos.F ./rpa_gw_im_time_util.F ./grid/grid_api.F ./qs_diis_types.F ./fist_force.F ./cp_symmetry.F ./cp2k_info.F ./qs_charge_mixing.F ./fp_methods.F ./kg_environment_types.F ./qs_linres_op.F ./ec_env_types.F ./mao_wfn_analysis.F ./qs_overlap.F ./qs_fb_env_methods.F ./qs_tddfpt2_forces.F ./qs_energy_window.F ./qs_core_energies.F ./pao_param_gth.F ./input_cp2k_dft.F ./cp_ddapc_methods.F ./pao_linpot_rotinv.F ./qs_rho_atom_methods.F ./aobasis/ai_os_rr.F ./aobasis/basis_set_container_types.F ./aobasis/ai_operators_r12.F ./aobasis/ai_elec_field.F ./aobasis/ai_derivatives.F ./aobasis/ai_fermi_contact.F ./aobasis/aux_basis_set.F ./aobasis/ai_onecenter.F ./aobasis/soft_basis_set.F ./aobasis/sto_ng.F ./aobasis/orbital_pointers.F ./aobasis/paw_basis_types.F ./aobasis/ai_eri_debug.F ./aobasis/ai_contraction.F ./aobasis/ai_verfc.F ./aobasis/ai_overlap_aabb.F ./aobasis/ai_overlap3.F ./aobasis/ao_util.F ./aobasis/basis_set_types.F ./aobasis/ai_angmom.F ./aobasis/orbital_transformation_matrices.F ./aobasis/ai_coulomb.F ./aobasis/ai_overlap3_debug.F ./aobasis/ai_operator_ra2m.F ./aobasis/ai_contraction_sphi.F ./aobasis/ai_overlap_ppl.F ./aobasis/ai_overlap.F ./aobasis/ai_kinetic.F ./aobasis/ai_oneelectron.F ./aobasis/ai_coulomb_test.F ./aobasis/orbital_symbols.F ./aobasis/ai_spin_orbit.F ./aobasis/ai_overlap_debug.F ./aobasis/ai_moments.F ./cp_control_types.F ./qs_vxc_atom.F ./ec_methods.F ./qs_vcd_utils.F ./qmmm_create.F ./atom_set_basis.F ./input_cp2k_neb.F ./atom_electronic_structure.F ./gw_communication.F ./mp2_cphf.F ./splines_types.F ./qs_fb_com_tasks_types.F ./qs_dos.F ./se_core_matrix.F ./qs_energy_init.F ./gw_large_cell_gamma.F ./qs_density_matrices.F ./qs_force.F ./mp2_eri_gpw.F ./domain_submatrix_types.F ./qs_chargemol.F ./almo_scf.F ./atom_grb.F ./nnp_environment.F ./input_cp2k_external.F ./preconditioner_solvers.F ./mp2_optimize_ri_basis.F ./qs_tddfpt2_operators.F ./ewald_spline_util.F ./qs_mo_methods.F ./cp_ddapc_util.F ./qs_period_efield_types.F ./qs_basis_gradient.F ./qmmm_tb_methods.F ./qs_fb_input.F ./negf_integr_simpson.F ./swarm/glbopt_mincrawl.F ./swarm/swarm_mpi.F ./swarm/swarm_master.F ./swarm/swarm_message.F ./swarm/swarm_input.F ./swarm/swarm.F ./swarm/glbopt_input.F ./swarm/glbopt_master.F ./swarm/glbopt_history.F ./swarm/swarm_worker.F ./swarm/glbopt_minhop.F ./swarm/glbopt_worker.F ./qs_localization_methods.F ./qs_linres_atom_current.F ./qs_fb_hash_table_types.F ./pao_types.F ./cp_dbcsr_cholesky.F ./qmmm_types_low.F ./qs_loc_molecules.F ./nnp_acsf.F ./core_ppnl.F ./stm_images.F ./semi_empirical_int_arrays.F ./qs_fermi_contact.F ./topology_coordinate_util.F ./qmmm_se_forces.F ./input_cp2k_pwdft.F ./manybody_allegro.F ./statistical_methods.F ./cryssym.F ./qs_dftb_coulomb.F ./manybody_quip.F ./dm_ls_scf.F ./qs_resp.F ./hfx_compression_methods.F ./generic_os_integrals.F ./linesearch.F ./qs_rho0_types.F ./manybody_nequip.F ./qs_gapw_densities.F ./global_types.F ./qs_dispersion_types.F ./qs_linres_epr_utils.F ./qs_tddfpt2_assign.F ./sockets_interface.F ./input_cp2k_qs.F ./rpa_im_time_force_types.F ./graphcon.F ./qs_gcp_utils.F ./minimax/minimax_exp_k15.F ./minimax/minimax_rpa.F ./minimax/minimax_exp.F ./minimax/minimax_exp_gw.F ./minimax/minimax_exp_k53.F ./qs_moments.F ./almo_scf_types.F ./input_cp2k_as.F ./fist_environment.F ./qs_scf_block_davidson.F ./transport.F ./start/cp2k_shell.F ./start/cp2k.F ./start/input_cp2k.F ./start/input_cp2k_motion.F ./start/libcp2k.F ./start/cp2k_runs.F ./dm_ls_scf_methods.F ./splines_methods.F ./mixed_environment_types.F ./scine_utils.F ./cp_dbcsr_output.F ./almo_scf_diis_types.F ./ex_property_calculation.F ./uff_vdw_radii_table.F ./fist_pol_scf.F ./qs_tddfpt2_types.F ./qmmm_types.F ./ec_environment.F ./kg_tnadd_mat.F ./qs_update_s_mstruct.F ./xc_adiabatic_methods.F ./grrm_utils.F ./rpa_im_time_force_methods.F ./embed_types.F ./post_scf_bandstructure_types.F ./qs_ks_types.F ./input_cp2k_tb.F ./libint_2c_3c.F ./task_list_methods.F ./qmmm_gaussian_input.F ./topology.F ./force_env_methods.F ./qs_tddfpt2_restart.F ./core_ae.F ./qmmmx_types.F ./qs_scf_post_scf.F ./input_cp2k_properties_dft.F ./atom_output.F ./lri_environment_types.F ./qs_o3c_types.F ./qs_basis_rotation_methods.F ./gw_utils.F ./sap_kind_types.F ./force_fields_util.F ./negf_integr_cc.F ./cp_control_utils.F ./qs_cdft_opt_types.F ./gw_small_cell_full_kp.F ./atomic_charges.F ./qs_elec_field.F ./qs_linres_methods.F ./mp2_gpw.F ./admm_types.F ./taper_types.F ./constraint.F ./input_cp2k_binary_restarts.F ./mixed_main.F ./semi_empirical_types.F ./qs_local_properties.F ./cp_realspace_grid_init.F ./qmmm_se_energy.F ./qs_harmonics_atom.F ./qs_loc_dipole.F ./csvr_system_types.F ./dft_plus_u.F ./xtb_coulomb.F ./qs_kind_types.F ./topology_cp2k.F ./qmmm_ff_fist.F ./subsys/damping_dipole_types.F ./subsys/particle_types.F ./subsys/particle_list_types.F ./subsys/virial_types.F ./subsys/cp_subsys_types.F ./subsys/force_field_kind_types.F ./subsys/colvar_types.F ./subsys/multipole_types.F ./subsys/external_potential_types.F ./subsys/atomic_kind_types.F ./subsys/atomic_kind_list_types.F ./subsys/molecule_list_types.F ./subsys/cell_types.F ./subsys/shell_potential_types.F ./subsys/molecule_kind_types.F ./subsys/molecule_kind_list_types.F ./subsys/molecule_types.F ./subsys/atprop_types.F ./pao_param_exp.F ./xtb_types.F ./negf_subgroup_types.F ./cp_dbcsr_operations.F ./atom_xc.F ./qs_scf_diagonalization.F ./qmmm_elpot.F ./dbt/dbt_io.F ./dbt/dbt_unittest.F ./dbt/dbt_split.F ./dbt/dbt_index.F ./dbt/dbt_types.F ./dbt/dbt_array_list_methods.F ./dbt/dbt_api.F ./dbt/dbt_reshape_ops.F ./dbt/dbt_test.F ./dbt/dbt_block.F ./dbt/dbt_methods.F ./dbt/dbt_allocate_wrap.F ./dbt/tas/dbt_tas_types.F ./dbt/tas/dbt_tas_io.F ./dbt/tas/dbt_tas_global.F ./dbt/tas/dbt_tas_util.F ./dbt/tas/dbt_tas_test.F ./dbt/tas/dbt_tas_base.F ./dbt/tas/dbt_tas_mm.F ./dbt/tas/dbt_tas_unittest.F ./dbt/tas/dbt_tas_split.F ./dbt/tas/dbt_tas_reshape_ops.F ./input_cp2k_mm.F ./pao_param.F ./mp2_laplace.F ./torch_api.F ./mp2_setup.F ./qs_fb_distribution_methods.F ./qs_energy_types.F ./qs_dftb_parameters.F ./topology_connectivity_util.F ./xas_env_types.F ./cp_ddapc_forces.F ./qs_kernel_methods.F ./dbx/cp_dbcsr_api.F ./atom_pseudo.F ./atoms_input.F ./scf_control_types.F ./libgrpp_integrals.F ./topology_xyz.F ./constraint_4x6.F ./qs_environment.F ./iao_types.F ./qs_energy_utils.F ./metadynamics_utils.F ./offload/offload_api.F ./input_cp2k_exstate.F ./dkh_main.F ./semi_empirical_int_ana.F ./efield_tb_methods.F ./qs_mo_occupation.F ./mixed_environment_utils.F ./et_coupling.F ./qs_tensors_types.F ./qs_loc_utils.F ./mp2_direct_method.F ./voronoi_interface.F ./wannier_states.F ./hfx_types.F ./hartree_local_types.F ./input_cp2k_loc.F ./qs_spin_orbit.F ./qs_ot_eigensolver.F ./dm_ls_scf_qs.F ./input_optimize_input.F ./qs_linres_epr_ownutils.F ./optimize_dmfet_potential.F ./pao_input.F ./hfx_derivatives.F ./qs_tddfpt2_properties.F ./optbas_fenv_manipulation.F ./input_optimize_basis.F ./topology_psf.F ./qs_matrix_w.F ./localization_tb.F ./qs_scf.F ./pao_param_equi.F ./pao_potentials.F ./negf_env_types.F ./preconditioner.F ./constraint_fxd.F ./input_cp2k_subsys.F ./admm_utils.F ./fist_nonbond_env_types.F ./qs_tddfpt2_utils.F ./input_cp2k_resp.F ./rpa_communication.F ./qs_wf_history_types.F ./rel_control_types.F ./xtb_parameters.F ./semi_empirical_integrals.F ./lri_forces.F ./manybody_siepmann.F ./topology_amber.F ./atom_upf.F ./input_cp2k_xas.F ./mm_mapping_library.F ./topology_generate_util.F ./qs_ks_methods.F ./qs_vxc.F ./qs_energy_matrix_w.F ./eip_environment.F ./xtb_matrices.F ./qs_loc_states.F ./fist_neighbor_list_control.F ./fm/cp_fm_elpa.F ./fm/cp_cfm_diag.F ./fm/cp_fm_struct.F ./fm/cp_blacs_env.F ./fm/cp_fm_pool_types.F ./fm/cp_fm_diag.F ./fm/cp_fm_basic_linalg.F ./fm/cp_fm_diag_utils.F ./fm/cp_fm_cusolver_api.F ./fm/cp_fm_types.F ./fm/cp_fm_dlaf_api.F ./fm/cp_cfm_types.F ./fm/cp_cfm_basic_linalg.F ./fm/cp_fm_cholesky.F ./fm/cp_linked_list_fm.F ./fm/cp_blacs_types.F ./fm/cp_dlaf_utils_api.F ./pao_ml.F ./negf_methods.F ./rpa_grad.F ./qs_tddfpt2_subgroups.F ./force_fields_ext.F ./iao_analysis.F ./qs_tddfpt2_densities.F ./nnp_model.F ./ewald_environment_types.F ./atom_types.F ./qs_kpp1_env_types.F ./qmmmx_force.F ./tip_scan_methods.F ./dm_ls_scf_create.F ./qs_tddfpt2_soc_types.F ./se_fock_matrix_integrals.F ./qs_fb_buffer_types.F ./fist_energy_types.F ./qs_outer_scf.F ./hfx_helpers.F ./qs_ks_utils.F ./mao_basis.F ./qs_loc_types.F ./qs_environment_methods.F ./rpa_gw_ic.F ./moments_utils.F ./virial_methods.F ./pao_ml_descriptor.F ./force_fields_input.F ./qs_scf_output.F ./mixed_energy_types.F ./commutator_rpnl.F ./wannier_states_types.F ./ipi_environment.F ./qs_electric_field_gradient.F ./qmmm_topology_util.F ./input_cp2k_atom.F ./fist_main.F ./atom_admm_methods.F ./se_fock_matrix_dbg.F ./qs_linres_polar_utils.F ./topology_pdb.F ./se_fock_matrix.F ./xc_pot_saop.F ./topology_constraint_util.F ./topology_cif.F ./constraint_clv.F ./qs_integrate_potential.F ./hfx_ri.F ./semi_empirical_parameters.F ./qs_commutators.F ./mp2.F ./cell_methods.F ./qs_ot_types.F ./preconditioner_types.F ./shg_int/s_contract_shg.F ./shg_int/generic_shg_integrals.F ./shg_int/construct_shg.F ./shg_int/generic_shg_integrals_init.F ./shg_int/constants_operator.F ./optbas_opt_utils.F ./qs_integrate_potential_single.F ./hirshfeld_methods.F ./spglib_f08.F ./constraint_3x3.F ./ewalds_multipole.F ./qs_sccs.F ./qs_scf_wfn_mix.F ./input_cp2k_kpoints.F ./qs_fb_trial_fns_types.F ./replica_types.F ./manybody_eam.F ./qs_tddfpt2_soc.F ./qs_scf_methods.F ./atom_basis.F ./qs_linres_nmr_utils.F ./manybody_gal.F ./ct_methods.F ./rpa_util.F ./qs_subsys_types.F ./almo_scf_optimizer.F ./paw_proj_set_types.F ./negf_integr_utils.F ./qs_fb_matrix_data_types.F ./qmmmx_util.F ./qs_ot_scf.F ./gw_integrals.F ./topology_xtl.F ./lri_optimize_ri_basis.F ./optimize_basis.F ./qs_tddfpt2_fhxc.F ./kpoint_types.F ./et_coupling_types.F ./pwdft_environment_types.F ./qs_dispersion_nonloc.F ./qs_rho_atom_types.F ./qs_hash_table_functions.F ./negf_green_methods.F ./admm_methods.F ./bse_iterative.F ./ri_environment_methods.F ./hfx_load_balance_methods.F ./qs_rho_methods.F ./pair_potential_util.F ./topology_input.F ./fist_neighbor_list_types.F ./mscfg_methods.F ./cp_dbcsr_cp2k_link.F ./ewald_pw_types.F ./hfx_admm_utils.F ./kg_vertex_coloring_methods.F ./lri_ks_methods.F ./input_cp2k_print_dft.F ./embed_environment.F ./negf_alloc_types.F ./qs_dftb_types.F ./pao_methods.F ./qs_elf_methods.F ./preconditioner_apply.F ./qs_integrate_potential_product.F ./qs_tddfpt_utils.F ./efield_utils.F ./input_cp2k_transport.F ./xas_tdp_methods.F ./qmmm_init.F ./atom_optimization.F ./maxwell_solver_interface.F ./qs_environment_types.F ./xas_control.F ./eip_silicon.F ./qs_ks_qmmm_methods.F ./cp_dbcsr_diag.F ./qs_tddfpt_eigensolver.F ./qs_linres_nmr_epr_common_utils.F ./mp2_ri_grad_util.F ./qmmm_gaussian_types.F ./cp_external_control.F ./qs_linres_current.F ./qs_nl_hash_table_types.F ./soc_pseudopotential_utils.F ./wannier90.F ./input_cp2k_poisson.F ./mdctrl_types.F ./ls_matrix_exp.F ./mixed_cdft_types.F ./qs_vcd_ao.F ./rt_propagation_velocity_gauge.F ./qs_scf_initialization.F ./pilaenv_hack.F ./qs_linres_types.F ./mao_types.F ./force_field_types.F ./manybody_gal21.F ./qs_rho0_methods.F ./tip_scan_types.F ./dbcsrx/dbcsr_vector.F ./qs_condnum.F ./xas_tdp_integrals.F ./rpa_gw.F ./lri_compression.F ./qs_ks_atom.F ./almo_scf_qs.F ./mol_force.F ./fist_neighbor_lists.F ./qs_scf_types.F ./ewald_pw_methods.F ./free_energy_types.F ./fp_types.F ./almo_scf_methods.F ./iterate_matrix.F ./ewalds.F ./motion/space_groups_types.F ./motion/neb_io.F ./motion/neb_methods.F ./motion/bfgs_optimizer.F ./motion/helium_worm.F ./motion/pint_transformations.F ./motion/md_util.F ./motion/pint_pile.F ./motion/cp_lbfgs.F ./motion/wiener_process.F ./motion/md_energies.F ./motion/glbopt_callback.F ./motion/thermostat/csvr_system_init.F ./motion/thermostat/al_system_dynamics.F ./motion/thermostat/extended_system_mapping.F ./motion/thermostat/csvr_system_dynamics.F ./motion/thermostat/thermostat_utils.F ./motion/thermostat/extended_system_init.F ./motion/thermostat/gle_system_dynamics.F ./motion/thermostat/extended_system_dynamics.F ./motion/thermostat/input_cp2k_barostats.F ./motion/thermostat/barostat_types.F ./motion/thermostat/barostat_utils.F ./motion/thermostat/al_system_init.F ./motion/thermostat/al_system_mapping.F ./motion/thermostat/csvr_system_mapping.F ./motion/thermostat/thermostat_mapping.F ./motion/thermostat/thermostat_methods.F ./motion/thermostat/thermostat_types.F ./motion/reftraj_types.F ./motion/input_cp2k_md.F ./motion/gopt_f_types.F ./motion/thermal_region_utils.F ./motion/neb_types.F ./motion/helium_sampling.F ./motion/gopt_param_types.F ./motion/averages_types.F ./motion/dumpdcd.F ./motion/neb_opt_utils.F ./motion/xyz2dcd.F ./motion/md_run.F ./motion/integrator.F ./motion/pint_methods.F ./motion/cell_opt_types.F ./motion/thermal_region_types.F ./motion/md_conserved_quantities.F ./motion/free_energy_methods.F ./motion/dimer_methods.F ./motion/md_environment_types.F ./motion/mdctrl_methods.F ./motion/cg_optimizer.F ./motion/input_cp2k_restarts.F ./motion/dimer_types.F ./motion/shell_opt.F ./motion/helium_io.F ./motion/mc/mc_types.F ./motion/mc/tamc_run.F ./motion/mc/mc_environment_types.F ./motion/mc/mc_coordinates.F ./motion/mc/mc_ensembles.F ./motion/mc/mc_run.F ./motion/mc/mc_move_control.F ./motion/mc/mc_ge_moves.F ./motion/mc/mc_misc.F ./motion/mc/mc_control.F ./motion/mc/mc_moves.F ./motion/md_vel_utils.F ./motion/pint_normalmode.F ./motion/helium_methods.F ./motion/reftraj_util.F ./motion/pint_io.F ./motion/geo_opt.F ./motion/vibrational_analysis.F ./motion/helium_nnp.F ./motion/rt_propagation.F ./motion/pint_types.F ./motion/cell_opt.F ./motion/pint_staging.F ./motion/pint_qtb.F ./motion/cp_lbfgs_geo.F ./motion/input_cp2k_vib.F ./motion/helium_common.F ./motion/pint_piglet.F ./motion/neb_md_utils.F ./motion/velocity_verlet_control.F ./motion/cg_utils.F ./motion/helium_interactions.F ./motion/gopt_f77_methods.F ./motion/simpar_methods.F ./motion/dimer_utils.F ./motion/cp_lbfgs_optimizer_gopt.F ./motion/neb_utils.F ./motion/helium_types.F ./motion/space_groups.F ./motion/integrator_utils.F ./motion/pint_gle.F ./motion/cell_opt_utils.F ./motion/pint_public.F ./motion/gopt_f_methods.F ./motion/md_ener_types.F ./nnp_environment_types.F ./ipi_environment_types.F ./qs_band_structure.F ./qs_ot_minimizer.F ./exstates_types.F ./mixed_cdft_methods.F ./qs_fxc.F ./qs_scf_post_gpw.F ./atom_operators.F ./simpar_types.F ./mp2_ri_2c.F ./kpoint_coulomb_2c.F ./pair_potential_coulomb.F ./optimize_input.F ./semi_empirical_int_num.F ./force_env_types.F ./rt_propagation_forces.F ./qs_ks_qmmm_types.F ./xc_adiabatic_utils.F ./constraint_util.F ./se_fock_matrix_coulomb.F ./qs_mo_io.F ./input_cp2k_mp2.F ./metadynamics.F ./qs_tddfpt2_stda_types.F ./basis_set_output.F ./f77_interface.F ./pexsi_types.F ./se_core_core.F ./mp2_integrals.F ./qs_tddfpt2_fprint.F ./submatrix_types.F ./qs_wf_history_methods.F ./dm_ls_scf_types.F ./restraint.F ./input_cp2k_voronoi.F ./commutator_rkinetic.F ./qs_rho0_ggrid.F ./semi_empirical_par_utils.F ./pao_ml_gaussprocess.F ./xas_tdp_types.F ./distribution_2d_types.F ./hartree_local_methods.F ./qmmm_force.F ./qs_cdft_utils.F ./cp_ddapc.F ./fist_environment_types.F ./input_cp2k_opt.F ./qs_cdft_methods.F ./qs_active_space_methods.F ./input_cp2k_scf.F ./input_cp2k_thermostats.F ./rpa_rse.F ./dm_ls_scf_curvy.F ./hdf5_wrapper.F ./mp2_ri_gpw.F ./optimize_basis_types.F ./qs_scf_lanczos.F ./matrix_exp.F ./subcell_types.F ./qmmm_per_elpot.F ./molecular_states.F ./admm_dm_types.F ./mp2_ri_grad.F ./ewald_methods_tb.F ./qs_external_potential.F ./kg_correction.F ./xas_tp_scf.F ./negf_matrix_utils.F ./rpa_gw_kpoints_util.F ./pme.F ./input_cp2k_restarts_util.F ./qmmmx_create.F ./mulliken.F ./xas_tdp_correction.F ./fist_intra_force.F ./mao_optimizer.F ./qs_dcdr.F ./admm_dm_methods.F ./bsse.F ./qs_neighbor_lists.F ./qs_scf_post_se.F ./qs_fb_atomic_halo_types.F ./cp_realspace_grid_cube.F ./auto_basis.F ./bse_util.F ./qs_external_density.F ./mm_collocate_potential.F ./pw_poisson_read_input.F ./exclusion_types.F ./qs_dispersion_d4.F ./qs_tddfpt2_soc_utils.F ./molden_utils.F ./semi_empirical_mpole_methods.F ./semi_empirical_int_debug.F ./preconditioner_makes.F ./qs_dispersion_utils.F ./hfx_exx.F ./al_system_types.F ./fist_efield_methods.F ./qs_dcdr_utils.F ./population_analyses.F ./qs_scf_loop_utils.F ./energy_corrections.F ./qs_linres_epr_nablavks.F ./qs_ks_apply_restraints.F ./pwdft_environment.F ./input_cp2k_qmmm.F ./colvar_methods.F ./manybody_tersoff.F ./manybody_deepmd.F ./qs_charges_types.F ./qs_linres_issc_utils.F ./kpoint_io.F ./qcschema.F ./molsym.F ./input_cp2k_embed.F ./library_tests.F ./input_cp2k_constraints.F ./colvar_utils.F ./nnp_force.F ./input_cp2k_xc.F ./qs_core_hamiltonian.F ./negf_green_cache.F ./local_gemm_api.F ./qs_2nd_kernel_ao.F ./distribution_methods.F ./qs_dftb3_methods.F ./qs_fb_atomic_matrix_methods.F ./input_cp2k_distribution.F ./ec_efield_local.F ./integration_grid_types.F ./qmmmx_update.F ./qs_linres_nmr_shift.F ./qs_integral_utils.F ./transport_env_types.F ./qs_cdft_scf_utils.F ./input_cp2k_motion_print.F ./parallel_gemm_api.F ./spme.F ./qs_o3c_methods.F ./block_p_types.F ./farming_types.F ./qs_operators_ao.F ./kg_environment.F ./motion_utils.F ./core_ppl.F ./qs_oce_methods.F ./qs_gspace_mixing.F ./qmmm_links_methods.F ./rtp_admm_methods.F ./rt_propagation_types.F ./libint_wrapper.F ./mao_methods.F ./force_fields.F ./farming_methods.F ./qmmm_gaussian_data.F ./qs_dftb_dispersion.F ./pw/gpu/pw_gpu_internal.c ./pw/fpga/fft_fpga.c ./pw/fpga/opencl_utils.c ./base/machine_cpuid.c ./dbm/dbm_shard.c ./dbm/dbm_multiply_cpu.c ./dbm/dbm_multiply.c ./dbm/dbm_mpi.c ./dbm/dbm_mempool.c ./dbm/dbm_multiply_gpu.c ./dbm/dbm_multiply_opencl.c ./dbm/dbm_distribution.c ./dbm/dbm_library.c ./dbm/dbm_multiply_comm.c ./dbm/dbm_miniapp.c ./dbm/dbm_matrix.c ./grid/grid_task_list.c ./grid/common/grid_library.c ./grid/common/grid_basis_set.c ./grid/common/grid_sphere_cache.c ./grid/grid_miniapp.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_replay.c ./grid/grid_unittest.c ./grid/dgemm/grid_dgemm_collocate.c ./grid/dgemm/grid_dgemm_prepare_pab.c ./grid/dgemm/grid_dgemm_tensor_local.c ./grid/dgemm/grid_dgemm_utils.c ./grid/dgemm/grid_dgemm_coefficients.c ./grid/dgemm/grid_dgemm_non_orthorombic_corrections.c ./grid/dgemm/grid_dgemm_collocation_integration.c ./grid/dgemm/grid_dgemm_context.c ./grid/dgemm/grid_dgemm_integrate.c ./grid/ref/grid_ref_prepare_pab.c ./grid/ref/grid_ref_integrate.c ./grid/ref/grid_ref_task_list.c ./grid/ref/grid_ref_collocate.c ./start/libcp2k_unittest.c ./offload/offload_library.c ./offload/offload_buffer.c ./fm/cp_fm_cusolver.c ./sockets.c /build/reproducible-path/cp2k-2024.2/src/torch_c_api.cpp
/build/reproducible-path/cp2k-2024.2/Makefile:145: update target 'all' due to: target is .PHONY
/usr/bin/make --no-print-directory -C /build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp -f /build/reproducible-path/cp2k-2024.2/Makefile all INCLUDE_DEPS=true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kinds.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/base/kinds.F kinds.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kahan_sum.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/kahan_sum.F kahan_sum.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'offload_buffer.o' due to: target does not exist
-mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/offload/offload_buffer.c
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'offload_library.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/offload/offload_library.c
+/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'offload_buffer.o' due to: target does not exist
+mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/offload/offload_buffer.c
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'machine_cpuid.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/base/machine_cpuid.c
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_miniapp.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_miniapp.c
-/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_multiply_cpu.o' due to: target does not exist
-mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_multiply_cpu.c
-/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_library.o' due to: target does not exist
-mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_library.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 May 3 07:29:16 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/kinds.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/base/' kinds.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_multiply_gpu.o' due to: target does not exist
-mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_multiply_gpu.c
-/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_mempool.o' due to: target does not exist
-mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:16 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/kahan_sum.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' kahan_sum.F90
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_shard.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_shard.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="\"Tue Apr 1 03:40:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/kinds.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/base/' kinds.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_multiply_cpu.o' due to: target does not exist
+mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_multiply_cpu.c
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_multiply.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_multiply.c
-/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_matrix.o' due to: target does not exist
-mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_matrix.c
+/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_mpi.o' due to: target does not exist
+mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_mpi.c
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+/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_mempool.o' due to: target does not exist
+mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_mempool.c
+/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_multiply_gpu.o' due to: target does not exist
+mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_multiply_gpu.c
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_multiply_opencl.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_multiply_opencl.c
-/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_multiply_comm.o' due to: target does not exist
-mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_multiply_comm.c
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_distribution.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_distribution.c
-/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_mpi.o' due to: target does not exist
-mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_mpi.c
+/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_library.o' due to: target does not exist
+mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_library.c
+/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_multiply_comm.o' due to: target does not exist
+mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_multiply_comm.c
+/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'dbm_matrix.o' due to: target does not exist
+mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_matrix.c
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_miniapp.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/grid_miniapp.c
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fft_kinds.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/fft/fft_kinds.F fft_kinds.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fft_plan.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/fft/fft_plan.F fft_plan.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fft_kinds.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/fft/fft_kinds.F fft_kinds.F90
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_task_list.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/grid_task_list.c
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_replay.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/grid_replay.c
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_dgemm_collocate.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/dgemm/grid_dgemm_collocate.c
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/grid/dgemm/grid_dgemm_collocation_integration.c
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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="\"Sun May 3 07:29:16 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_kinds.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:16 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_plan.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/fft/' fft_plan.F90
/build/reproducible-path/cp2k-2024.2/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-2024.2/src/grid/dgemm/grid_dgemm_prepare_pab.c
-/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_dgemm_coefficients.o' due to: target does not exist
-mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/dgemm/grid_dgemm_coefficients.c
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_plan.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/fft/' fft_plan.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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="\"Tue Apr 1 03:40:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_kinds.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/fft/' fft_kinds.F90
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_dgemm_utils.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/dgemm/grid_dgemm_utils.c
-/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_dgemm_integrate.o' due to: target does not exist
-mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/dgemm/grid_dgemm_integrate.c
-/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_dgemm_context.o' due to: target does not exist
-mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/dgemm/grid_dgemm_context.c
+/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_dgemm_coefficients.o' due to: target does not exist
+mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/dgemm/grid_dgemm_coefficients.c
/build/reproducible-path/cp2k-2024.2/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-2024.2/src/grid/dgemm/grid_dgemm_non_orthorombic_corrections.c
-/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_cpu_integrate.o' due to: target does not exist
-mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/cpu/grid_cpu_integrate.c
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/grid/cpu/grid_cpu_task_list.c
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/grid/dgemm/grid_dgemm_collocation_integration.c
+/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_dgemm_context.o' due to: target does not exist
+mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/dgemm/grid_dgemm_context.c
+/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_dgemm_integrate.o' due to: target does not exist
+mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/dgemm/grid_dgemm_integrate.c
/build/reproducible-path/cp2k-2024.2/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-2024.2/src/grid/cpu/grid_cpu_prepare_pab.c
+/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_cpu_integrate.o' due to: target does not exist
+mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/cpu/grid_cpu_integrate.c
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_cpu_collocate.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/cpu/grid_cpu_collocate.c
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/grid/cpu/grid_cpu_task_list.c
/build/reproducible-path/cp2k-2024.2/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-2024.2/src/grid/ref/grid_ref_prepare_pab.c
-/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_ref_collocate.o' due to: target does not exist
-mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/ref/grid_ref_collocate.c
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_ref_integrate.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/ref/grid_ref_integrate.c
/build/reproducible-path/cp2k-2024.2/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-2024.2/src/grid/ref/grid_ref_task_list.c
-/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_sphere_cache.o' due to: target does not exist
-mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/common/grid_sphere_cache.c
-/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_basis_set.o' due to: target does not exist
-mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/common/grid_basis_set.c
+/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_ref_collocate.o' due to: target does not exist
+mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/ref/grid_ref_collocate.c
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_library.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/common/grid_library.c
+/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_basis_set.o' due to: target does not exist
+mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/common/grid_basis_set.c
+/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'grid_sphere_cache.o' due to: target does not exist
+mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/grid/common/grid_sphere_cache.c
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'cp_fm_cusolver.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_cusolver.c
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'pw_gpu_internal.o' due to: target does not exist
@@ -1582,75 +1618,74 @@
/build/reproducible-path/cp2k-2024.2/Makefile:493: update target '/build/reproducible-path/cp2k-2024.2/obj/git-ref' due to: target does not exist
echo git:615b0eb > "/build/reproducible-path/cp2k-2024.2/obj/git-ref.tmp"
cmp "/build/reproducible-path/cp2k-2024.2/obj/git-ref.tmp" "/build/reproducible-path/cp2k-2024.2/obj/git-ref" || mv -f "/build/reproducible-path/cp2k-2024.2/obj/git-ref.tmp" "/build/reproducible-path/cp2k-2024.2/obj/git-ref"
-cmp: /build/reproducible-path/cp2k-2024.2/obj/git-ref: No such file or directory
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'constants_operator.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dumpdcd.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_input_constants.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_input_constants.F90
+cmp: /build/reproducible-path/cp2k-2024.2/obj/git-ref: No such file or directory
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dumpdcd.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_input_constants.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_input_constants.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pilaenv_hack.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pilaenv_hack.F pilaenv_hack.F90
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'sockets.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/constants_operator.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/shg_int/' constants_operator.F90
/build/reproducible-path/cp2k-2024.2/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-2024.2=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pilaenv_hack.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pilaenv_hack.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xyz2dcd.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/constants_operator.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/shg_int/' 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="\"Sun May 3 07:29:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pilaenv_hack.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pilaenv_hack.F90
/build/reproducible-path/cp2k-2024.2/Makefile:517: update target 'libcp2k_unittest.o' due to: target does not exist
mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2024.2/src/start/libcp2k_unittest.c
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kinds.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fft_kinds.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fft_plan.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/xyz2dcd.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' xyz2dcd.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fft_kinds.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgriddgemm.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgriddgemm.a"
+Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgriddgemm.a
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a"
-Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgriddgemm.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgriddgemm.a grid_dgemm_collocate.o grid_dgemm_collocation_integration.o grid_dgemm_tensor_local.o grid_dgemm_prepare_pab.o grid_dgemm_coefficients.o grid_dgemm_utils.o grid_dgemm_integrate.o grid_dgemm_context.o grid_dgemm_non_orthorombic_corrections.o
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgriddgemm.a grid_dgemm_collocate.o grid_dgemm_prepare_pab.o grid_dgemm_tensor_local.o grid_dgemm_utils.o grid_dgemm_coefficients.o grid_dgemm_non_orthorombic_corrections.o grid_dgemm_collocation_integration.o grid_dgemm_context.o grid_dgemm_integrate.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgriddgemm.a
+Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgpu.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgpu.a"
-Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a grid_sphere_cache.o grid_basis_set.o grid_library.o
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a grid_library.o grid_basis_set.o grid_sphere_cache.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a
+/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a' due to: target does not exist
+echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a"
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgpu.a
ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgpu.a pw_gpu_internal.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgpu.a
-/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a' due to: target does not exist
-echo "Updating archive /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/xyz2dcd.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' xyz2dcd.F90
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a
ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a fft_fpga.o opencl_utils.o
-ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_constants.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_constants.F input_constants.F90
+ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'minimax_exp_k53.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/minimax/minimax_exp_k53.F minimax_exp_k53.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_input_constants.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'constants_operator.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/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]
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'constants_operator.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'machine.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/base/machine.F machine.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mathconstants.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/mathconstants.F mathconstants.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'timings_base_type.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/timings_base_type.F 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 May 3 07:29:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_constants.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_constants.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_constants.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lapack.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/lapack.F lapack.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathconstants.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_base_type.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' timings_base_type.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'timings_base_type.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/timings_base_type.F 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="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lapack.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' lapack.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'string_utilities.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/string_utilities.F string_utilities.F90
/build/reproducible-path/cp2k-2024.2/src/base/machine.F:285:25:
285 | SUBROUTINE abort() BIND(C, name="abort")
@@ -1686,28 +1721,28 @@
601 | 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-2024.2/Makefile:513: update target 'string_utilities.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_base_type.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' timings_base_type.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mathconstants.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/mathconstants.F mathconstants.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_constants.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mathconstants.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'timings_base_type.mod' due to: target does not exist
-true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lapack.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' lapack.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'physcon.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/physcon.F 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 May 3 07:29:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k53.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/minimax/' minimax_exp_k53.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lapack.mod' due to: target does not exist
-true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_utilities.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k53.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/minimax/' minimax_exp_k53.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_utilities.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' string_utilities.F90
/build/reproducible-path/cp2k-2024.2/src/common/string_utilities.F:26:45:
26 | CHARACTER(LEN=1), PARAMETER :: backslash = '\\'
| 1
Warning: CHARACTER expression at (1) is being truncated (2/1) [-Wcharacter-truncation]
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/physcon.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' physcon.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'physcon.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="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathconstants.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' mathconstants.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lapack.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'timings_base_type.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mathconstants.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'physcon.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/physcon.F physcon.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'machine.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/common/string_utilities.F:3126:3:
@@ -1719,8 +1754,6 @@
3339 | ELEMENTAL SUBROUTINE lowercase(string)
| ^
Warning: 'lowercase' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'machine.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'base_hooks.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/base/base_hooks.F base_hooks.F90
/build/reproducible-path/cp2k-2024.2/src/motion/xyz2dcd.F:58:70:
@@ -1749,7 +1782,15 @@
58 | REAL(KIND=dp), DIMENSION(:, :), ALLOCATABLE :: r, r_pbc, r0, s, s_pbc
| ^
note: 's_pbc.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="\"Sun May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/base_hooks.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/base/' base_hooks.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/physcon.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/base_hooks.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/base/' base_hooks.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a' due to: target does not exist
+echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a"
+Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a grid_ref_prepare_pab.o grid_ref_integrate.o grid_ref_task_list.o grid_ref_collocate.o
+ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'physcon.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'base_hooks.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a' due to: target does not exist
@@ -1763,26 +1804,16 @@
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_allocate_wrap.F dbt_allocate_wrap.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mltfftsg_tools.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/fft/mltfftsg_tools.F mltfftsg_tools.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_parser_buffer_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_parser_buffer_types.F cp_parser_buffer_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_parser_inpp_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_parser_inpp_types.F 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 May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbx/cp_dbcsr_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_allocate_wrap.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' dbt_allocate_wrap.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_parser_ilist_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_parser_ilist_types.F 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="\"Sun May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_buffer_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/mltfftsg_tools.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/fft/' mltfftsg_tools.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'shell_potential_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' cp_parser_ilist_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'damping_dipole_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/shell_potential_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/damping_dipole_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' damping_dipole_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'orbital_pointers.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/orbital_pointers.F orbital_pointers.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbx/cp_dbcsr_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbx/' cp_dbcsr_api.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_parser_inpp_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_parser_inpp_types.F 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="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/damping_dipole_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' damping_dipole_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_allocate_wrap.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/mltfftsg_tools.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/fft/' mltfftsg_tools.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_parser_buffer_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_parser_buffer_types.F cp_parser_buffer_types.F90
/build/reproducible-path/cp2k-2024.2/src/motion/dumpdcd.F:844:83:
844 | WRITE (UNIT=output_unit) REAL(atomic_displacement(:), KIND=sp)
@@ -1813,21 +1844,21 @@
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="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_buffer_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' cp_parser_buffer_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_parser_ilist_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_parser_ilist_types.F cp_parser_ilist_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'orbital_pointers.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/orbital_pointers.F orbital_pointers.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' cp_parser_ilist_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'orbital_symbols.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/orbital_symbols.F orbital_symbols.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'force_field_kind_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/force_field_kind_types.F force_field_kind_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_pointers.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' orbital_pointers.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'virial_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/virial_types.F virial_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atprop_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_symbols.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' orbital_symbols.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_dlaf_utils_api.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_dlaf_utils_api.F cp_dlaf_utils_api.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/force_field_kind_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' force_field_kind_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_contraction.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_pointers.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' orbital_pointers.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'shell_potential_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/shell_potential_types.F shell_potential_types.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_symbols.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' orbital_symbols.F90
/build/reproducible-path/cp2k-2024.2/src/aobasis/orbital_symbols.F:126:31:
126 | symbol(i:i) = l_sym(l)
@@ -1838,29 +1869,42 @@
112 | INTEGER :: i
| ^
note: 'i' 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 May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atprop_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/virial_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_dlaf_utils_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_dlaf_utils_api.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_overlap_debug.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/shell_potential_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' shell_potential_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'virial_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/virial_types.F virial_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'force_field_kind_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/force_field_kind_types.F force_field_kind_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/virial_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' virial_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atprop_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/force_field_kind_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' force_field_kind_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_dlaf_utils_api.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_dlaf_utils_api.F cp_dlaf_utils_api.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atprop_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' atprop_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'sto_ng.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/sto_ng.F sto_ng.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_onecenter.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_onecenter.F ai_onecenter.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_dlaf_utils_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/sto_ng.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' sto_ng.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_contraction.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_contraction.F ai_contraction.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_overlap3_debug.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_overlap3_debug.F ai_overlap3_debug.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/sto_ng.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' sto_ng.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_contraction_sphi.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_contraction_sphi.F 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 May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_debug.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3_debug.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_overlap3_debug.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_onecenter.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_onecenter.F ai_onecenter.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lazy.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/lazy.F lazy.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_onecenter.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_onecenter.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_overlap_debug.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_overlap_debug.F ai_overlap_debug.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ps_wavelet_fft3d.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_onecenter.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_contraction.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ps_wavelet_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction_sphi.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3_debug.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_overlap3_debug.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lazy.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/lazy.F lazy.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction_sphi.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_contraction_sphi.F90
/build/reproducible-path/cp2k-2024.2/src/aobasis/ai_onecenter.F:799:22:
799 | SUBROUTINE sto_conf(gmat, rc, k, na, pa, nb, pb)
@@ -1906,132 +1950,149 @@
1157 | SUBROUTINE num_conf(gmat, rc, k, ra, rb, r, wr)
| ^
Warning: 'num_conf' 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 May 3 07:29:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/lazy.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' lazy.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ps_wavelet_fft3d.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_fft3d.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_debug.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_fft3d.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' ps_wavelet_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'graph_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/metadyn_tools/' graph_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'exclusion_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/exclusion_types.F exclusion_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exclusion_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/lazy.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' lazy.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_energy_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/metadyn_tools/' graph_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mixed_energy_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_energy_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'splines_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/splines_types.F splines_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'torch_api.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/torch_api.F torch_api.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'deepmd_wrapper.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/deepmd_wrapper.F deepmd_wrapper.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_gaussian_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"torch_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' splines_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dftb_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"deepmd_wrapper.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' deepmd_wrapper.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_expns3_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_energy_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mixed_energy_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_mpole_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' splines_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_expns3_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_mpole_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'taper_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_expns3_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dftb_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dftb_types.F qs_dftb_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_int_arrays.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"taper_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' taper_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_gaussian_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dftb_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'minimax_exp_k15.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"taper_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_arrays.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_gaussian_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'eri_mme_util.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_arrays.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_int_arrays.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_energy_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_energy_types.F fist_energy_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_rho_atom_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k15.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/minimax/' minimax_exp_k15.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'block_p_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_energy_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_energy_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_ff_fist.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"block_p_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' block_p_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_helpers.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_helpers.F hfx_helpers.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_charges_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_ff_fist.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_ff_fist.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'integration_grid_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charges_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_helpers.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_helpers.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_rho_cflags_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_rho_cflags_types.F xc_rho_cflags_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_energy_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_energy_types.F qs_energy_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fb_trial_fns_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_fb_trial_fns_types.F qs_fb_trial_fns_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"integration_grid_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_cflags_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_rho_cflags_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'wannier_states_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/wannier_states_types.F wannier_states_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k15.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/eri_mme/' eri_mme_util.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_helpers.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_helpers.F hfx_helpers.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_helpers.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_helpers.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_ff_fist.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_ff_fist.F qmmm_ff_fist.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_compression_core_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_trial_fns_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_trial_fns_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_ff_fist.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_ff_fist.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_rho_atom_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_rho_atom_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fb_trial_fns_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_fb_trial_fns_types.F qs_fb_trial_fns_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_compression_core_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/hfxbase/' hfx_compression_core_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_rho_cflags_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_trial_fns_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_trial_fns_types.F90
/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' wannier_states_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mixed_energy_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mixed_energy_types.F mixed_energy_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'block_p_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_cflags_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_rho_cflags_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'exclusion_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/exclusion_types.F exclusion_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'torch_api.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"block_p_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' block_p_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'deepmd_wrapper.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exclusion_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' exclusion_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'integration_grid_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"torch_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' torch_api.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_charges_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"deepmd_wrapper.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' deepmd_wrapper.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_energy_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"integration_grid_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' integration_grid_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'sockets_interface.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charges_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_energy_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_energy_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_functionals_utilities.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_functionals_utilities.F xc_functionals_utilities.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sockets_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' sockets_interface.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mm_mapping_library.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mm_mapping_library.F mm_mapping_library.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_energy_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sockets_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_functionals_utilities.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_functionals_utilities.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'spglib_f08.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/spglib_f08.F spglib_f08.F90
-/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_mapping_library.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mm_mapping_library.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_functionals_utilities.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_functionals_utilities.F xc_functionals_utilities.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_mapping_library.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mm_mapping_library.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'arnoldi_geev.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/arnoldi/arnoldi_geev.F 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="\"Sun May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_compression_core_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spglib_f08.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' spglib_f08.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spglib_f08.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' spglib_f08.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_contraction_sphi.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_geev.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/arnoldi/' arnoldi_geev.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_contraction_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfxbase/hfx_contraction_methods.F hfx_contraction_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_hash_table_functions.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_geev.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_functionals_utilities.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_functionals_utilities.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_contract_block.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfxbase/hfx_contract_block.F 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 May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_hash_table_functions.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_hash_table_functions.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_overlap3_debug.mod' due to: target does not exist
-true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_hash_table_functions.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_hash_table_functions.F qs_hash_table_functions.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_gaussian_data.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_gaussian_data.F qmmm_gaussian_data.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_hash_table_functions.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_hash_table_functions.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'beta_gamma_psi.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contract_block.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_data.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_gaussian_data.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'simpar_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/simpar_types.F simpar_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'uff_vdw_radii_table.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contract_block.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/hfxbase/' hfx_contract_block.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fb_buffer_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"simpar_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"uff_vdw_radii_table.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' uff_vdw_radii_table.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'wannier90.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/wannier90.F 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 May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"uff_vdw_radii_table.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_buffer_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"beta_gamma_psi.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' beta_gamma_psi.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fb_buffer_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier90.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' wannier90.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'minimax_rpa.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier90.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' wannier90.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_buffer_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_buffer_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'minimax_exp_gw.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/minimax/minimax_exp_gw.F minimax_exp_gw.F90
/build/reproducible-path/cp2k-2024.2/src/qs_fb_buffer_types.F:202:35:
202 | SUBROUTINE fb_buffer_i_associate(a, b)
@@ -2042,18 +2103,10 @@
518 | SUBROUTINE fb_buffer_d_associate(a, b)
| ^
Warning: 'fb_buffer_d_associate' defined but not used [-Wunused-function]
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_rpa.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contraction_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/hfxbase/' hfx_contraction_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'minimax_exp_gw.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/minimax/minimax_exp_gw.F minimax_exp_gw.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hdf5_wrapper.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hdf5_wrapper.F hdf5_wrapper.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_gw.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hdf5_wrapper.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hdf5_wrapper.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'simpar_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/simpar_types.F simpar_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'beta_gamma_psi.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_gw.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_rpa.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/minimax/' minimax_rpa.F90
/build/reproducible-path/cp2k-2024.2/src/minimax/minimax_exp_gw.F:79:10:
79 | IF (E_ratio > 1.5_dp) THEN
@@ -2064,21 +2117,27 @@
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="\"Sun May 3 07:29:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"simpar_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"beta_gamma_psi.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' beta_gamma_psi.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_gaussian_data.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_gaussian_data.F qmmm_gaussian_data.F90
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hdf5_wrapper.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contraction_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/hfxbase/' hfx_contraction_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'md_ener_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/md_ener_types.F md_ener_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mdctrl_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_data.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_gaussian_data.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_ener_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_ener_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mdctrl_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mdctrl_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'negf_alloc_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/negf_alloc_types.F negf_alloc_types.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'negf_integr_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/negf_integr_utils.F negf_integr_utils.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_alloc_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_alloc_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mao_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_integr_utils.F90
/build/reproducible-path/cp2k-2024.2/src/minimax/minimax_rpa.F:10163:10:
10163 | IF (E_ratio > 1.5_dp) THEN
@@ -2089,70 +2148,56 @@
10129 | REAL(KIND=dp) :: E_ratio
| ^
note: 'e_ratio' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'negf_alloc_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mdctrl_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mdctrl_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'farming_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/farming_types.F farming_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_alloc_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_alloc_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'negf_integr_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/negf_integr_utils.F negf_integr_utils.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' farming_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mao_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_integr_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_stati.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_stati.F tmc_stati.F90
/build/reproducible-path/cp2k-2024.2/src/negf_integr_utils.F:181:3:
181 | PURE FUNCTION get_axis_rotation_angle(a, b) RESULT(phi)
| ^
Warning: 'get_axis_rotation_angle' defined but not used [-Wunused-function]
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mao_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'farming_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/farming_types.F farming_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mao_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_tree_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_tree_types.F tmc_tree_types.F90
/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'tmc_tree_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_tree_types.F tmc_tree_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' farming_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_move_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_move_types.F tmc_move_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_stati.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_stati.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_tree_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_stati.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_stati.F tmc_stati.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_move_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_utils.F tmc_utils.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_stati.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_stati.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'memory_utilities.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/memory_utilities.F memory_utilities.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'whittaker.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/whittaker.F whittaker.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_move_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'list_routinestat.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/list_routinestat.F list_routinestat.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/whittaker.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' whittaker.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'list_callstackentry.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/list_callstackentry.F list_callstackentry.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' memory_utilities.F90
-/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinestat.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_callstackentry.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' list_callstackentry.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_result_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'splines.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/splines.F splines.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' cp_result_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'routine_map.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/routine_map.F routine_map.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' memory_utilities.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'callgraph.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/callgraph.F callgraph.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'structure_factor_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/structure_factor_types.F structure_factor_types.F90
-/build/reproducible-path/cp2k-2024.2/src/hfxbase/hfx_compression_core_methods.F:67:23:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/splines.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' splines.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'list_callstackentry.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/list_callstackentry.F list_callstackentry.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/routine_map.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' routine_map.F90
+/build/reproducible-path/cp2k-2024.2/src/common/splines.F:261:27:
- 67 | SUBROUTINE ints2ints(Ndata, packed_data, full_data)
- | ^
-Warning: 'ints2ints' 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 May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/routine_map.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' routine_map.F90
+ 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="\"Tue Apr 1 03:40:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/callgraph.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' callgraph.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'list_routinestat.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/list_routinestat.F list_routinestat.F90
/build/reproducible-path/cp2k-2024.2/src/common/routine_map.F:16:6:
16 | #:call hash_map(prefix='routine_map', &
@@ -2168,12 +2213,7 @@
16 | #:call hash_map(prefix='routine_map', &
| ^
Warning: 'routine_map_update' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_array_sort.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/cp_array_sort.F 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 May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/callgraph.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' callgraph.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factor_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' structure_factor_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp_perf_env.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mpiwrap/mp_perf_env.F 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="\"Tue Apr 1 03:40:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_callstackentry.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' list_callstackentry.F90
/build/reproducible-path/cp2k-2024.2/src/common/callgraph.F:17:6:
17 | #:call hash_map(prefix='callgraph', &
@@ -2189,24 +2229,22 @@
17 | #:call hash_map(prefix='callgraph', &
| ^
Warning: 'callgraph_update' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'powell.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/powell.F powell.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_result_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/mp_perf_env.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_sort.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinestat.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' list_routinestat.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'list_routinereport.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/list_routinereport.F list_routinereport.F90
/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'd3_poly.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/d3_poly.F d3_poly.F90
/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinereport.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' list_routinereport.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_iter_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/cp_iter_types.F cp_iter_types.F90
/build/reproducible-path/cp2k-2024.2/src/common/callgraph.F:17:32:
17 | #:call hash_map(prefix='callgraph', &
@@ -2217,17 +2255,89 @@
17 | #:call hash_map(prefix='callgraph', &
| ^
note: 'value' was declared here
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' cp_result_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'linear_systems.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/linear_systems.F linear_systems.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'string_table.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/string_table.F string_table.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/powell.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' powell.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'offload_api.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/offload/offload_api.F offload_api.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/d3_poly.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' 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="\"Sun May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/linear_systems.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_table.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_iter_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' cp_iter_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp_perf_env.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mpiwrap/mp_perf_env.F 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="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"offload/offload_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/offload/' offload_api.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_files.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/mp_perf_env.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/mpiwrap/' mp_perf_env.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'print_messages.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/print_messages.F print_messages.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_array_sort.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/cp_array_sort.F 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="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_files.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' cp_files.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'eigenvalueproblems.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/print_messages.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' print_messages.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'bessel_lib.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/bessel_lib.F bessel_lib.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/eigenvalueproblems.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_sort.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' cp_array_sort.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/Makefile:513: update target 'powell.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bessel_lib.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' bessel_lib.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mathlib.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/powell.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' powell.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lebedev.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/lebedev.F 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="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathlib.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' mathlib.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'linear_systems.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/linear_systems.F linear_systems.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'spherical_harmonics.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lebedev.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/linear_systems.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' linear_systems.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'whittaker.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/whittaker.F whittaker.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/spherical_harmonics.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' spherical_harmonics.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'd3_poly.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/d3_poly.F d3_poly.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_result_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/src/common/powell.F:1829:23:
+
+ 1829 | qbeg = sg + cf
+ | ^
+Warning: 'sg' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/common/powell.F:1828:30:
+
+ 1828 | cf = half*(shs - dhd)
+ | ^
+Warning: 'shs' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/common/powell.F:1669:37:
+
+ 1669 | reduc, sg, sgk, shs, ss, sth, temp, tempa, tempb
+ | ^
+note: 'shs' was declared here
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/whittaker.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/d3_poly.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' d3_poly.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_min_heap.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/cp_min_heap.F cp_min_heap.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_min_heap.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' cp_min_heap.F90
/build/reproducible-path/cp2k-2024.2/src/common/d3_poly.F:235:3:
235 | PURE FUNCTION mono_index1(i) RESULT(res)
@@ -2328,49 +2438,16 @@
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 May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"offload/offload_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/offload/' offload_api.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'list_routinereport.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/list_routinereport.F list_routinereport.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_files.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/cp_files.F cp_files.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_iter_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/cp_iter_types.F cp_iter_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'bessel_lib.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/bessel_lib.F bessel_lib.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_result_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 May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_files.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' cp_files.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'spherical_harmonics.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_iter_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinereport.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' list_routinereport.F90
-/build/reproducible-path/cp2k-2024.2/src/common/powell.F:1829:23:
-
- 1829 | qbeg = sg + cf
- | ^
-Warning: 'sg' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/common/powell.F:1828:30:
+/build/reproducible-path/cp2k-2024.2/src/common/cp_min_heap.F:73:3:
- 1828 | cf = half*(shs - dhd)
- | ^
-Warning: 'shs' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/common/powell.F:1669:37:
+ 73 | ELEMENTAL FUNCTION get_right_child(n) RESULT(child)
+ | ^
+Warning: 'get_right_child' defined but not used [-Wunused-function]
+/build/reproducible-path/cp2k-2024.2/src/common/cp_min_heap.F:100:3:
- 1669 | reduc, sg, sgk, shs, ss, sth, temp, tempa, tempb
- | ^
-note: 'shs' was declared here
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bessel_lib.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/spherical_harmonics.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' spherical_harmonics.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fparser.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/fparser.F fparser.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gamma.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/gamma.F 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 May 3 07:29:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/fparser.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' fparser.F90
+ 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-2024.2/src/common/spherical_harmonics.F:379:20:
379 | END FUNCTION sfac
@@ -2381,43 +2458,37 @@
360 | FUNCTION sfac(n)
| ^
note: '__result_sfac' was declared here
-/build/reproducible-path/cp2k-2024.2/src/common/fparser.F:350:3:
+/build/reproducible-path/cp2k-2024.2/src/common/lebedev.F:146:42:
- 350 | FUNCTION EvalErrMsg() RESULT(msg)
- | ^
-Warning: 'evalerrmsg' 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 May 3 07:29:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/gamma.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' gamma.F90
+ 146 | END FUNCTION get_number_of_lebedev_grid
+ | ^
+Warning: 'number_of_lebedev_grid' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'gamma.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/gamma.F gamma.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'string_table.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/string_table.F string_table.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/gamma.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' gamma.F90
/build/reproducible-path/cp2k-2024.2/src/common/gamma.F:281:22:
281 | SUBROUTINE fgamma_1(nmax, t, f)
| ^
Warning: 'fgamma_1' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_iter_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lebedev.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/lebedev.F lebedev.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'print_messages.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/print_messages.F print_messages.F90
-/build/reproducible-path/cp2k-2024.2/src/common/fparser.F:498:38:
-
- 498 | IF (PRESENT(ibegin)) ibegin = ib
- | ^
-Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/common/fparser.F:473:62:
-
- 473 | INTEGER :: ib, in, j, lstr
- | ^
-note: 'ib' was declared here
-/build/reproducible-path/cp2k-2024.2/src/common/fparser.F:499:36:
-
- 499 | IF (PRESENT(inext)) inext = in
- | ^
-Warning: 'in' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/common/fparser.F:473:66:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_table.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' string_table.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'structure_factor_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/structure_factor_types.F structure_factor_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fparser.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/fparser.F fparser.F90
+/build/reproducible-path/cp2k-2024.2/src/common/mathlib.F:1403:3:
- 473 | INTEGER :: ib, in, j, lstr
- | ^
-note: 'in' was declared here
+ 1403 | ELEMENTAL IMPURE FUNCTION expint(n, x)
+ | ^
+Warning: '__result_expint' 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="\"Tue Apr 1 03:40:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/fparser.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' fparser.F90
/build/reproducible-path/cp2k-2024.2/src/common/spherical_harmonics.F:1465:25:
1465 | END FUNCTION dlegendre
@@ -2428,111 +2499,70 @@
1336 | FUNCTION dlegendre(x, l, m) RESULT(dplm)
| ^
note: 'dplm' 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 May 3 07:29:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lebedev.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' lebedev.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'splines.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/splines.F splines.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/print_messages.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' print_messages.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'structure_factor_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'eigenvalueproblems.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/splines.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' splines.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mathlib.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/mathlib.F mathlib.F90
-/build/reproducible-path/cp2k-2024.2/src/common/fparser.F:1022:23:
-
- 1022 | vals(ipar) = xval
- | ^
-Warning: 'xval' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/common/fparser.F:988:68:
-
- 988 | hh, xval
- | ^
-note: 'xval' was declared here
-/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/eigenvalueproblems.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' eigenvalueproblems.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'print_messages.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/Makefile:513: update target 'cp_min_heap.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/cp_min_heap.F cp_min_heap.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathlib.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_min_heap.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' cp_min_heap.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/common/cp_min_heap.F:100:3:
+/build/reproducible-path/cp2k-2024.2/src/common/fparser.F:350:3:
- 100 | ELEMENTAL FUNCTION get_value_by_key(heap, key) RESULT(value)
+ 350 | FUNCTION EvalErrMsg() RESULT(msg)
| ^
-Warning: 'get_value_by_key' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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
+Warning: 'evalerrmsg' 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="\"Tue Apr 1 03:40:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factor_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' structure_factor_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a"
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a offload_api.o offload_buffer.o offload_library.o
-ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_dbcsr_api.mod' due to: target does not exist
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a offload_api.o offload_library.o offload_buffer.o
+ar: /build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_dbcsr_api.mod' due to: target does not exist
true
+creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_allocate_wrap.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a"
+Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mltfftsg_tools.mod' due to: target does not exist
true
-Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a
ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a cp_dbcsr_api.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kahan_sum.mod' due to: kahan_sum.o
true
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a"
-/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a' due to: target does not exist
-echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a"
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a grid_cpu_integrate.o grid_cpu_task_list.o grid_cpu_prepare_pab.o grid_cpu_collocate.o
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_parser_inpp_types.mod' due to: target does not exist
+true
+ar -r /build/reproducible-path/cp2k-2024.2/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
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_parser_buffer_types.mod' due to: target does not exist
true
-Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a grid_ref_prepare_pab.o grid_ref_collocate.o grid_ref_integrate.o grid_ref_task_list.o
-ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_parser_inpp_types.mod' due to: target does not exist
-true
+/build/reproducible-path/cp2k-2024.2/src/common/fparser.F:498:38:
+
+ 498 | IF (PRESENT(ibegin)) ibegin = ib
+ | ^
+Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/common/fparser.F:473:62:
+
+ 473 | INTEGER :: ib, in, j, lstr
+ | ^
+note: 'ib' was declared here
+/build/reproducible-path/cp2k-2024.2/src/common/fparser.F:499:36:
+
+ 499 | IF (PRESENT(inext)) inext = in
+ | ^
+Warning: 'in' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/common/fparser.F:473:66:
+
+ 473 | INTEGER :: ib, in, j, lstr
+ | ^
+note: 'in' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_parser_ilist_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'shell_potential_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'damping_dipole_types.mod' due to: target does not exist
-true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_parser_status_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_parser_status_types.F cp_parser_status_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'orbital_pointers.mod' due to: target does not exist
true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_status_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' cp_parser_status_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'orbital_symbols.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'shell_potential_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'force_field_kind_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'virial_types.mod' due to: target does not exist
@@ -2543,38 +2573,50 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gamma.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_oneelectron.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_oneelectron.F ai_oneelectron.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_overlap_debug.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'sto_ng.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_coulomb.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_coulomb.F ai_coulomb.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_overlap3.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_overlap3.F ai_overlap3.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_overlap_aabb.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_overlap_aabb.F ai_overlap_aabb.F90
+/build/reproducible-path/cp2k-2024.2/src/common/fparser.F:1022:23:
+
+ 1022 | vals(ipar) = xval
+ | ^
+Warning: 'xval' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/common/fparser.F:988:68:
+
+ 988 | hh, xval
+ | ^
+note: 'xval' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_derivatives.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_derivatives.F 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="\"Sun May 3 07:29:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_oneelectron.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_aabb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_overlap_aabb.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_derivatives.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_coulomb.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_fermi_contact.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_fermi_contact.F ai_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="\"Tue Apr 1 03:40:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_derivatives.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_fermi_contact.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_eri_debug.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_eri_debug.F ai_eri_debug.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_verfc.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_verfc.F ai_verfc.F90
-/build/reproducible-path/cp2k-2024.2/src/common/mathlib.F:1403:3:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_eri_debug.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_eri_debug.F90
+/build/reproducible-path/cp2k-2024.2/src/aobasis/ai_eri_debug.F:56:21:
- 1403 | ELEMENTAL IMPURE FUNCTION expint(n, x)
- | ^
-Warning: '__result_expint' 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 May 3 07:29:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_verfc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_verfc.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_fermi_contact.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_fermi_contact.F ai_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="\"Sun May 3 07:29:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_fermi_contact.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_derivatives.mod' due to: target does not exist
-true
+ 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-2024.2/Makefile:513: update target 'ai_overlap_aabb.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_verfc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_verfc.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_overlap3.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_overlap3.F 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="\"Tue Apr 1 03:40:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_aabb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_overlap_aabb.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_angmom.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_angmom.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_angmom.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_oneelectron.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_oneelectron.F ai_oneelectron.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_oneelectron.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_oneelectron.F90
/build/reproducible-path/cp2k-2024.2/src/aobasis/ai_coulomb.F:1839:75:
1839 | fcz*v(1, 1, cocz, n + 1)
@@ -2605,32 +2647,19 @@
824 | REAL(KIND=dp), DIMENSION(3) :: rap, rbp, rcp, rcw, rpw
| ^
note: 'rbp[1]' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_angmom.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_angmom.F ai_angmom.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lazy.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ps_wavelet_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'bessel_lib.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ps_wavelet_fft3d.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'graph_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:26 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_angmom.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_angmom.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'splines_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'torch_api.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'deepmd_wrapper.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_gaussian_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dftb_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/src/common/mathlib.F:141:23:
+
+ 141 | END FUNCTION pswitch
+ | ^
+Warning: 'fx' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/common/mathlib.F:98:46:
+
+ 98 | FUNCTION pswitch(x, a, b, order) RESULT(fx)
+ | ^
+note: 'fx' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_overlap_debug.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_expns3_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_derivatives.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/aobasis/ai_overlap3.F:1040:81:
@@ -2712,69 +2741,87 @@
135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc
| ^
note: 'sdc.offset' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ps_wavelet_fft3d.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ps_wavelet_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'bessel_lib.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lazy.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'graph_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_energy_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mixed_energy_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'splines_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_mpole_types.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_expns3_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'taper_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_int_arrays.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dftb_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_onecenter.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'splines.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'minimax_exp_k15.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'minimax_exp_k53.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_int_arrays.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'eri_mme_util.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_gaussian_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_energy_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'minimax_exp_k53.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_rho_atom_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'minimax_exp_k15.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'block_p_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'eri_mme_util.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'libint_wrapper.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/libint_wrapper.F libint_wrapper.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_ff_fist.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'wannier_states_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_helpers.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_charges_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_ff_fist.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'integration_grid_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_rho_atom_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_trial_fns_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 May 3 07:29:26 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_wrapper.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' libint_wrapper.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'whittaker.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hartree_local_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_wrapper.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' libint_wrapper.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'transport_env_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/transport_env_types.F transport_env_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_rho_cflags_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_energy_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="\"Tue Apr 1 03:40:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' transport_env_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'block_p_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'exclusion_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'torch_api.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'deepmd_wrapper.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'transport_env_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/transport_env_types.F transport_env_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:26 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' transport_env_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mscfg_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mscfg_types.F mscfg_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_trial_fns_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'integration_grid_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/src/common/mathlib.F:141:23:
-
- 141 | END FUNCTION pswitch
- | ^
-Warning: 'fx' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/common/mathlib.F:98:46:
-
- 98 | FUNCTION pswitch(x, a, b, order) RESULT(fx)
- | ^
-note: 'fx' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'wannier_states_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_charges_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mixed_energy_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_energy_types.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:26 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mscfg_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'sockets_interface.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_functionals_utilities.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_min_heap.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'string_table.mod' due to: target does not exist
@@ -2785,46 +2832,53 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'spglib_f08.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mol_force.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mol_force.F mol_force.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'd3_poly.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_fermi_contact.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_functionals_utilities.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'arnoldi_geev.mod' due to: target does not exist
-true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mscfg_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 's_contract_shg.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/shg_int/s_contract_shg.F s_contract_shg.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'construct_shg.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/s_contract_shg.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/shg_int/' s_contract_shg.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fermi_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fermi_utils.F fermi_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_hash_table_functions.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="\"Tue Apr 1 03:40:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/construct_shg.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/shg_int/' construct_shg.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'arnoldi_geev.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mol_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mol_force.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_contraction_sphi.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="\"Tue Apr 1 03:40:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fermi_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fermi_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_overlap_aabb.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'libgrpp_integrals.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/libgrpp_integrals.F libgrpp_integrals.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'construct_shg.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fermi_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fermi_utils.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libgrpp_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' libgrpp_integrals.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 's_contract_shg.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/shg_int/s_contract_shg.F s_contract_shg.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/construct_shg.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/shg_int/' 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 May 3 07:29:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/s_contract_shg.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/shg_int/' s_contract_shg.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_overlap_aabb.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'd3_poly.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'eigenvalueproblems.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="\"Tue Apr 1 03:40:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libgrpp_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' libgrpp_integrals.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_angmom.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'uff_vdw_radii_table.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_hash_table_functions.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_fermi_contact.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_verfc.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_buffer_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_gaussian_data.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mol_force.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mol_force.F mol_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="\"Tue Apr 1 03:40:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mol_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mol_force.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'beta_gamma_psi.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'simpar_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'linear_systems.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'uff_vdw_radii_table.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'wannier90.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fb_hash_table_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_fb_hash_table_types.F qs_fb_hash_table_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_hash_table_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_hash_table_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_buffer_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/qs_fb_hash_table_types.F:323:34:
323 | SUBROUTINE fb_hash_table_remove(hash_table, key)
@@ -2835,9 +2889,7 @@
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-2024.2/Makefile:560: update target 'wannier90.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'linear_systems.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'eigenvalueproblems.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'minimax_rpa.mod' due to: target does not exist
true
@@ -2845,65 +2897,73 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hdf5_wrapper.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'simpar_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'beta_gamma_psi.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_gaussian_data.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'md_ener_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mdctrl_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_alloc_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'farming_types.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_integr_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_stati.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'farming_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_tree_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_move_types.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_stati.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'memory_utilities.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'list_routinestat.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'routine_map.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'callgraph.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'list_callstackentry.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'routine_map.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'list_routinestat.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'callgraph.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'list_routinereport.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_array_sort.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_iter_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp_perf_env.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'string_utilities.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'offload_api.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'list_routinereport.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp_perf_env.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_files.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'print_messages.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_array_sort.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'periodic_table.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/periodic_table.F periodic_table.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'spherical_harmonics.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lebedev.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'structure_factors.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/structure_factors.F structure_factors.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'parallel_rng_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/parallel_rng_types.F parallel_rng_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'structure_factor_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_index.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_index.F dbt_index.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mathlib.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fftw3_lib.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/fft/fftw3_lib.F 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 May 3 07:29:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factors.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_index.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftw3_lib.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/periodic_table.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' parallel_rng_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fftsg_lib.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_index.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' dbt_index.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fftw3_lib.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/fft/fftw3_lib.F 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="\"Tue Apr 1 03:40:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftsg_lib.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/fft/' 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="\"Tue Apr 1 03:40:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftw3_lib.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/fft/' fftw3_lib.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_fpga.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/pw_fpga.F pw_fpga.F90
/build/reproducible-path/cp2k-2024.2/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)
@@ -2914,7 +2974,16 @@
99 | SUBROUTINE dummy_routine_to_call_mark_used()
| ^
Warning: 'dummy_routine_to_call_mark_used' 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 May 3 07:29:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftsg_lib.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/fft/' fftsg_lib.F90
+/build/reproducible-path/cp2k-2024.2/src/common/parallel_rng_types.F:845:25:
+
+ 845 | END FUNCTION next_real
+ | ^
+Warning: 'u' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/common/parallel_rng_types.F:804:47:
+
+ 804 | FUNCTION next_real(self, variance) RESULT(u)
+ | ^
+note: 'u' was declared here
/build/reproducible-path/cp2k-2024.2/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)
@@ -2930,23 +2999,18 @@
1203 | scal_offset
| ^
Warning: 'scal_offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_fpga.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/pw_fpga.F pw_fpga.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_parser_status_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_parser_status_types.F cp_parser_status_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_parser_status_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ao_util.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ao_util.F ao_util.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_fpga.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_status_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' cp_parser_status_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_fpga.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ao_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ao_util.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'orbital_transformation_matrices.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/orbital_transformation_matrices.F orbital_transformation_matrices.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_os_rr.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ao_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_transformation_matrices.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_os_rr.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_os_rr.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_eri_debug.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_eri_debug.F ai_eri_debug.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_coulomb.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/aobasis/ao_util.F:131:49:
131 | r = MAX(SQRT(0.5_dp*REAL(l, dp)/a), radius)
@@ -2969,8 +3033,16 @@
note: 't' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_oneelectron.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'structure_factors.mod' due to: target does not exist
-true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_coulomb_test.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_transformation_matrices.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_os_rr.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_os_rr.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ps_wavelet_scaling_function.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/ps_wavelet_scaling_function.F ps_wavelet_scaling_function.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb_test.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_coulomb_test.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_grid_atom.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_grid_atom.F qs_grid_atom.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_scaling_function.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' ps_wavelet_scaling_function.F90
/build/reproducible-path/cp2k-2024.2/src/aobasis/orbital_transformation_matrices.F:517:22:
517 | END FUNCTION p_func
@@ -2981,19 +3053,6 @@
501 | FUNCTION p_func(i, l, mu, m, r1, r, lr) RESULT(p)
| ^
note: 'p' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ps_wavelet_scaling_function.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/ps_wavelet_scaling_function.F ps_wavelet_scaling_function.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pair_potential_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_eri_debug.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_eri_debug.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_scaling_function.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' ps_wavelet_scaling_function.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'qs_grid_atom.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_grid_atom.F qs_grid_atom.F90
/build/reproducible-path/cp2k-2024.2/src/pw/ps_wavelet_scaling_function.F:92:30:
92 | SUBROUTINE wavelet_function(itype, nd, a, x)
@@ -3009,6 +3068,22 @@
296 | SUBROUTINE ftest(m, ch, cg, cgt, cht)
| ^
Warning: 'ftest' defined but not used [-Wunused-function]
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pair_potential_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_grid_atom.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_grid_atom.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'powell.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'libint_wrapper.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hartree_local_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'transport_env_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'local_gemm_api.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/local_gemm_api.F 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="\"Tue Apr 1 03:40:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pair_potential_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mscfg_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/aobasis/orbital_transformation_matrices.F:385:52:
385 | orbrotmat(2)%mat(1:5, 1:5) = r2(-2:2, -2:2)
@@ -3109,115 +3184,82 @@
421 | FUNCTION u_func(l, ma, mb) RESULT(u)
| ^
note: 'u' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'powell.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hartree_local_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hartree_local_types.F hartree_local_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'libint_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="\"Sun May 3 07:29:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pair_potential_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'local_gemm_api.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/local_gemm_api.F 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="\"Sun May 3 07:29:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_grid_atom.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_grid_atom.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'transport_env_types.mod' due to: target does not exist
-true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hartree_local_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mscfg_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mol_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 May 3 07:29:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"local_gemm_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' local_gemm_api.F90
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"local_gemm_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' local_gemm_api.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp2k_info.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp2k_info.F 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="\"Tue Apr 1 03:40:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp2k_info.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kpsym.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/kpsym.F kpsym.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'construct_shg.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fermi_utils.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_overlap3.mod' due to: target does not exist
true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpsym.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kpsym.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'libgrpp_integrals.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mol_force.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_hash_table_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'optimize_basis_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/optimize_basis_types.F optimize_basis_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_coulomb_test.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' optimize_basis_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'nequip_unittest.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:40:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nequip_unittest.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' nequip_unittest.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'memory_utilities_unittest.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/memory_utilities_unittest.F memory_utilities_unittest.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nequip_unittest.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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 May 3 07:29:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities_unittest.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' memory_utilities_unittest.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities_unittest.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' memory_utilities_unittest.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'timings_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/timings_types.F timings_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'string_utilities.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'util.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/util.F util.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'message_passing.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mpiwrap/message_passing.F message_passing.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' util.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'parallel_rng_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/parallel_rng_types.F parallel_rng_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'periodic_table.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/periodic_table.F periodic_table.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_index.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="\"Tue Apr 1 03:40:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' timings_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'util.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/util.F util.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'parallel_rng_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fftw3_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="\"Tue Apr 1 03:40:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' util.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'structure_factors.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/structure_factors.F structure_factors.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_index.mod' due to: target does not exist
true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/message_passing.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/mpiwrap/' message_passing.F90
/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' parallel_rng_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_fpga.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fftw3_lib.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/message_passing.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/mpiwrap/' message_passing.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_parser_status_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_fpga.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/periodic_table.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factors.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' structure_factors.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ao_util.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'orbital_transformation_matrices.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'periodic_table.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_os_rr.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_overlap_ppl.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_overlap_ppl.F ai_overlap_ppl.F90
-/build/reproducible-path/cp2k-2024.2/src/common/parallel_rng_types.F:845:25:
-
- 845 | END FUNCTION next_real
- | ^
-Warning: 'u' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/common/parallel_rng_types.F:804:47:
-
- 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="\"Sun May 3 07:29:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_ppl.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_overlap_ppl.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_coulomb.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_spin_orbit.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_spin_orbit.F ai_spin_orbit.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_coulomb_test.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_spin_orbit.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_elec_field.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_elec_field.F ai_elec_field.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_overlap.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb_test.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_coulomb_test.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ps_wavelet_scaling_function.mod' due to: target does not exist
-true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_elec_field.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_elec_field.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_grid_atom.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_overlap.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'local_gemm_api.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp2k_info.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp2k_info.F cp2k_info.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kpsym.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_ppl.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_overlap.F90
+/build/reproducible-path/cp2k-2024.2/src/kpsym.F:1860:91:
+
+ 1860 | origin(imissing2)*r(ionly, imissing2, ib(ir)))
+ | ^
+Warning: 'imissing2' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/kpsym.F:1766:98:
+
+ 1766 | INTEGER :: i, i1, ierror, igood(3), il, imissing2, &
+ | ^
+note: 'imissing2' was declared here
/build/reproducible-path/cp2k-2024.2/src/aobasis/ai_overlap.F:1364:26:
1364 | SUBROUTINE overlap_aaab(la1_max, la1_min, npgfa1, rpgfa1, zeta1, &
@@ -3233,27 +3275,46 @@
1776 | SUBROUTINE overlap_abbb(la_max, la_min, npgfa, rpgfa, zeta, &
| ^
Warning: 'overlap_abbb' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'construct_shg.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_kinetic.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_kinetic.F ai_kinetic.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_spin_orbit.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_spin_orbit.F ai_spin_orbit.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_kinetic.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_kinetic.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'structure_factors.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 's_contract_shg.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="\"Tue Apr 1 03:40:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_spin_orbit.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ps_wavelet_scaling_function.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fb_matrix_data_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_fb_matrix_data_types.F qs_fb_matrix_data_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'optimize_basis_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'graph_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/metadyn_tools/graph_methods.F graph_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_grid_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 May 3 07:29:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpsym.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kpsym.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_coulomb_test.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'local_gemm_api.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp2k_info.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'timings_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="\"Tue Apr 1 03:40:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/metadyn_tools/' graph_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp2k_info.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'util.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 's_contract_shg.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_matrix_data_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_matrix_data_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'parallel_rng_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_overlap_ppl.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_global.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_global.F dbt_tas_global.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_spin_orbit.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_kinetic.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fb_matrix_data_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_fb_matrix_data_types.F qs_fb_matrix_data_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'csvr_system_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/csvr_system_utils.F csvr_system_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'optimize_basis_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/src/kpsym.F:2263:89:
+
+ 2263 | iremov, iwvk, j, jplace, k, n, nplane
+ | ^
+Warning: 'n' may be used uninitialized [-Wmaybe-uninitialized]
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_matrix_data_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:40:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' csvr_system_utils.F90
/build/reproducible-path/cp2k-2024.2/src/qs_fb_matrix_data_types.F:137:38:
137 | SUBROUTINE fb_matrix_data_associate(a, b)
@@ -3264,8 +3325,8 @@
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-2024.2/Makefile:513: update target 'dbt_array_list_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_array_list_methods.F dbt_array_list_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'timings_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/mpiwrap/message_passing.F:4266:31:
4266 | SUBROUTINE mp_type_free_v(type_descriptors)
@@ -3301,68 +3362,48 @@
4300 | FUNCTION mp_type_indexed_make_${nametype1}$ (count, lengths, displs) &
| ^
Warning: 'mp_type_indexed_make_l' 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 May 3 07:29:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_global.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' dbt_tas_global.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_util.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_util.F dbt_tas_util.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'util.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_array_list_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_array_list_methods.F dbt_array_list_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fft_lib.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/fft/fft_lib.F fft_lib.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_array_list_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' 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 May 3 07:29:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_lib.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/fft/' fft_lib.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_array_list_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' dbt_array_list_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_elec_field.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_lib.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/fft/' fft_lib.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_operator_ra2m.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_operator_ra2m.F ai_operator_ra2m.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_kinetic.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_kinetic.F 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="\"Sun May 3 07:29:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operator_ra2m.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_elec_field.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_elec_field.F90
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operator_ra2m.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_operator_ra2m.F90
Updating archive /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_kinetic.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_kinetic.F90
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a fftsg_lib.o fftw3_lib.o fft_lib.o fft_kinds.o fft_plan.o mltfftsg_tools.o
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a fft_lib.o fftw3_lib.o fftsg_lib.o fft_kinds.o mltfftsg_tools.o fft_plan.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_neighbor_list_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_neighbor_list_types.F 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="\"Sun May 3 07:29:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_neighbor_list_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pair_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="\"Tue Apr 1 03:40:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_neighbor_list_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_derivative_desc.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_derivative_desc.F xc_derivative_desc.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'graphcon.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/graphcon.F 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="\"Tue Apr 1 03:40:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_desc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_derivative_desc.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pair_potential_util.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pair_potential_util.F pair_potential_util.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp2k_info.mod' due to: target does not exist
-true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_desc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_derivative_desc.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molsym.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"graphcon.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' graphcon.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_spin_orbit.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_elec_field.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_overlap_ppl.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_operator_ra2m.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_kinetic.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_matrix_data_types.mod' due to: target does not exist
-true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molsym.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' molsym.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'csvr_system_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/csvr_system_utils.F csvr_system_utils.F90
-/build/reproducible-path/cp2k-2024.2/src/kpsym.F:1860:91:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"graphcon.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' graphcon.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_derivative_desc.F:97:26:
- 1860 | origin(imissing2)*r(ionly, imissing2, ib(ir)))
- | ^
-Warning: 'imissing2' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/kpsym.F:1766:98:
+ 97 | END FUNCTION desc_to_id
+ | ^
+Warning: 'id' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_derivative_desc.F:64:39:
- 1766 | INTEGER :: i, i1, ierror, igood(3), il, imissing2, &
- | ^
-note: 'imissing2' was declared here
+ 64 | FUNCTION desc_to_id(desc) RESULT(id)
+ | ^
+note: 'id' was declared here
/build/reproducible-path/cp2k-2024.2/src/qs_neighbor_list_types.F:331:28:
331 | iterator%ilist = ilist
@@ -3403,18 +3444,11 @@
293 | INTEGER :: i, ij, ilist, me, nlist, nnode
| ^
note: 'nnode' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/Makefile:513: update target 'list_timerenv.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/list_timerenv.F list_timerenv.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kpsym.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pair_potential_util.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molsym.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/molsym.F molsym.F90
/build/reproducible-path/cp2k-2024.2/src/qs_neighbor_list_types.F:227:61:
227 | list_search(il)%atom_list(ilist) = iatom
@@ -3425,6 +3459,11 @@
172 | INTEGER :: iatom, il, ilist, mthread, nlist
| ^
note: 'iatom' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'header.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molsym.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' molsym.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_operator_ra2m.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/pair_potential_util.F:164:31:
164 | value = value + lvalue
@@ -3435,17 +3474,25 @@
52 | REAL(KIND=dp) :: bd6, bd8, dampsum, f6, f8, lvalue, pp, &
| ^
note: 'pp' 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 May 3 07:29:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_timerenv.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' list_timerenv.F90
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"header.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' header.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_elec_field.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_array_list_methods.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_matrix_data_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_tas_util.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'csvr_system_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fft_lib.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'list_timerenv.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/list_timerenv.F list_timerenv.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_global.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_timerenv.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' list_timerenv.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_util.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_global.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' dbt_tas_global.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_array_list_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'periodic_table.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="\"Tue Apr 1 03:40:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' dbt_tas_util.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fft_lib.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_neighbor_list_types.mod' due to: target does not exist
true
@@ -3453,51 +3500,40 @@
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/force_field_types.F force_field_types.F90
/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_field_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' force_field_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_gcp_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_gcp_types.F qs_gcp_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pair_potential_util.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'header.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_field_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_gcp_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_gcp_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'header.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_nl_hash_table_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_nl_hash_table_types.F qs_nl_hash_table_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"header.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' header.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'csvr_system_utils.mod' due to: target does not exist
-true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nl_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_nl_hash_table_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'list_timerenv.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'graph_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nl_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_nl_hash_table_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_tas_util.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_gcp_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 May 3 07:29:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/metadyn_tools/' graph_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'graphcon.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'header.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_nl_hash_table_types.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'list.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/list.F list.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_tas_global.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'force_field_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/src/kpsym.F:2263:89:
-
- 2263 | iremov, iwvk, j, jplace, k, n, nplane
- | ^
-Warning: 'n' may be used uninitialized [-Wmaybe-uninitialized]
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' list.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' list.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'list.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'timings.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' timings.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'timings.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_nl_hash_table_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kpsym.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="\"Tue Apr 1 03:40:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' timings.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'timings.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_overlap.mod' due to: target does not exist
true
@@ -3505,8 +3541,8 @@
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_moments.F ai_moments.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'debug_os_integrals.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:33 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_moments.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:33 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"debug_os_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_moments.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"debug_os_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' debug_os_integrals.F90
/build/reproducible-path/cp2k-2024.2/src/debug_os_integrals.F:46:36:
46 | SUBROUTINE overlap_ab_test_simple()
@@ -3522,30 +3558,6 @@
386 | SUBROUTINE overlap_aabb_test_simple()
| ^
Warning: 'overlap_aabb_test_simple' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'debug_os_integrals.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'molsym.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'graph_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a' due to: target does not exist
@@ -3555,7 +3567,7 @@
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'graph.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/metadyn_tools/graph.F graph.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:34 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/metadyn_tools/' graph.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/metadyn_tools/' graph.F90
/build/reproducible-path/cp2k-2024.2/src/metadyn_tools/graph.F:658:28:
658 | out3 = out2//"."
@@ -3566,6 +3578,10 @@
660 | out3 = out1//"."
| 1
Warning: CHARACTER expression will be truncated in assignment (80/81) at (1) [-Wcharacter-truncation]
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'debug_os_integrals.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'molsym.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/metadyn_tools/graph.F:412:12:
412 | i_map = 0
@@ -3716,6 +3732,26 @@
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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'ai_moments.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_contract_block.mod' due to: target does not exist
@@ -3724,50 +3760,53 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'message_passing.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'reference_manager.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/reference_manager.F reference_manager.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_result_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/cp_result_methods.F cp_result_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_log_handling.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/cp_log_handling.F cp_log_handling.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'reference_manager.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/reference_manager.F reference_manager.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 't_c_g0.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/t_c_g0.F t_c_g0.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 't_sh_p_s_c.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/t_sh_p_s_c.F t_sh_p_s_c.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_result_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/cp_result_methods.F cp_result_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'timings_report.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/timings_report.F timings_report.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 't_sh_p_s_c.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/t_sh_p_s_c.F t_sh_p_s_c.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp_perf_test.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mpiwrap/mp_perf_test.F mp_perf_test.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'parallel_rng_types_unittest.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_log_handling.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' cp_log_handling.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbm_api.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_api.F dbm_api.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/reference_manager.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' cp_result_methods.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/reference_manager.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' reference_manager.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_grid_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_log_handling.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_c_g0.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' cp_result_methods.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_report.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' timings_report.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/mp_perf_test.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/mpiwrap/' mp_perf_test.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_parser_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_c_g0.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_sh_p_s_c.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_report.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' timings_report.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/mp_perf_test.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/mpiwrap/' mp_perf_test.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types_unittest.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' 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 May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' cp_parser_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbm/dbm_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbm/' dbm_api.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_blacs_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_sh_p_s_c.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types_unittest.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' 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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbm/dbm_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' cp_parser_types.F90
/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'cp_blacs_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_blacs_types.F cp_blacs_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ps_wavelet_base.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/ps_wavelet_base.F ps_wavelet_base.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pexsi_interface.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pexsi_interface.F pexsi_interface.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'domain_submatrix_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/domain_submatrix_types.F domain_submatrix_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_blacs_types.F90
/build/reproducible-path/cp2k-2024.2/src/common/cp_result_methods.F:267:50:
267 | IF (PRESENT(n_entries)) n_entries = size_res
@@ -3778,14 +3817,11 @@
239 | INTEGER :: i, k, nlist, nrep, size_res, size_values
| ^
note: 'size_res' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'domain_submatrix_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/domain_submatrix_types.F domain_submatrix_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_blacs_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_base.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' domain_submatrix_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'arnoldi_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_base.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' ps_wavelet_base.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbcsr_vector.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbcsrx/dbcsr_vector.F dbcsr_vector.F90
/build/reproducible-path/cp2k-2024.2/src/common/cp_result_methods.F:194:50:
194 | IF (PRESENT(n_entries)) n_entries = size_res
@@ -3796,47 +3832,48 @@
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 May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsrx/dbcsr_vector.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbcsrx/' dbcsr_vector.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbcsr_vector.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/arnoldi/' arnoldi_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'submatrix_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/submatrix_types.F submatrix_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 't_sh_p_s_c.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fb_com_tasks_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsrx/dbcsr_vector.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbcsrx/' dbcsr_vector.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'group_dist_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/group_dist_types.F group_dist_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dgemm_counter_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dgemm_counter_types.F dgemm_counter_types.F90
/build/reproducible-path/cp2k-2024.2/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]
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' submatrix_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dgemm_counter_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' submatrix_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'timings_report.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_com_tasks_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_com_tasks_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'reference_manager.mod' due to: target does not exist
-true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"group_dist_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' group_dist_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_log_handling.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'reference_manager.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_com_tasks_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"group_dist_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' group_dist_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_units.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/cp_units.F 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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dgemm_counter_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' dgemm_counter_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cg_test.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_units.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' cp_units.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_array_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/cp_array_utils.F cp_array_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbm_api.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_grid_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fft_tools.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/fft_tools.F fft_tools.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_parser_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 May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dgemm_counter_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' dgemm_counter_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_enumeration_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/input_enumeration_types.F input_enumeration_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_parser_ilist_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_parser_ilist_methods.F cp_parser_ilist_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_parser_inpp_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_parser_inpp_methods.F cp_parser_inpp_methods.F90
/build/reproducible-path/cp2k-2024.2/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)
@@ -3847,11 +3884,15 @@
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]
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft_tools.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' cp_parser_ilist_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' cp_parser_inpp_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_enumeration_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' input_enumeration_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_blacs_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/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]
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cg_test.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' cg_test.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft_tools.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' fft_tools.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_parser_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/qs_fb_com_tasks_types.F:218:36:
@@ -3873,6 +3914,37 @@
305 | SUBROUTINE fb_com_tasks_init(com_tasks)
| ^
Warning: 'fb_com_tasks_init' defined but not used [-Wunused-function]
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_enumeration_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/input_enumeration_types.F input_enumeration_types.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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="\"Tue Apr 1 03:40:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_enumeration_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' input_enumeration_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_parser_ilist_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_parser_ilist_methods.F cp_parser_ilist_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_parser_inpp_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_parser_inpp_methods.F cp_parser_inpp_methods.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' cp_parser_ilist_methods.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' cp_parser_inpp_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_blacs_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 't_c_g0.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'minimax_exp.o' due to: target does not exist
@@ -3881,20 +3953,6 @@
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/libint_2c_3c.F libint_2c_3c.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pexsi_interface.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'domain_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="\"Sun May 3 07:29:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/minimax/' minimax_exp.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_result_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'splines_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/splines_methods.F splines_methods.F90
-/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_2c_3c.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' libint_2c_3c.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'submatrix_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 't_sh_p_s_c.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/src/input/cp_parser_inpp_methods.F:598:75:
598 | newline = input_line(1:pos1 - 3)//var_value//input_line(pos2 + 2:)
@@ -3905,97 +3963,86 @@
660 | END FUNCTION inpp_find_variable
| ^
note: '.var_value' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'group_dist_types.mod' due to: target does not exist
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/minimax/' minimax_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="\"Tue Apr 1 03:40:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_2c_3c.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' libint_2c_3c.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'domain_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="\"Sun May 3 07:29:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' splines_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dgemm_counter_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_result_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'splines_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/splines_methods.F splines_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'arnoldi_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' splines_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'domain_submatrix_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/domain_submatrix_methods.F domain_submatrix_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'almo_scf_lbfgs_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' domain_submatrix_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'group_dist_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_lbfgs_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' almo_scf_lbfgs_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ls_matrix_exp.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_lbfgs_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' almo_scf_lbfgs_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' domain_submatrix_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cg_test.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp_perf_test.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a"
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a minimax_exp.o minimax_exp_k53.o minimax_rpa.o minimax_exp_gw.o minimax_exp_k15.o
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a minimax_exp_k15.o minimax_rpa.o minimax_exp.o minimax_exp_gw.o minimax_exp_k53.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'bibliography.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/bibliography.F bibliography.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ls_matrix_exp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ls_matrix_exp.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_array_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bibliography.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' bibliography.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:513: update target 'cp_units.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/cp_units.F cp_units.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cg_test.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_units.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' cp_units.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_error_handling.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/cp_error_handling.F cp_error_handling.F90
-/build/reproducible-path/cp2k-2024.2/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]
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cg_test.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' cg_test.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_error_handling.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' cp_error_handling.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'bibliography.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/bibliography.F bibliography.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ls_matrix_exp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ls_matrix_exp.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_array_utils.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.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="\"Tue Apr 1 03:40:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_error_handling.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bibliography.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' bibliography.F90
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a message_passing.o mp_perf_test.o mp_perf_env.o
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a mp_perf_test.o message_passing.o mp_perf_env.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbm_tests.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbm/dbm_tests.F dbm_tests.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'dbt_tas_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_types.F dbt_tas_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbm/dbm_tests.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbm/dbm_tests.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' dbt_tas_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_enumeration_types.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_units.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_parser_ilist_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_parser_inpp_methods.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' dbt_tas_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cell_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cell_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' cell_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_blacs_env.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_blacs_env.F cp_blacs_env.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ai_operators_r12.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/ai_operators_r12.F ai_operators_r12.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_env.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operators_r12.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_operators_r12.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'minimax_exp.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'splines_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_contraction_methods.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_com_tasks_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'almo_scf_lbfgs_types.mod' due to: target does not exist
@@ -4004,26 +4051,20 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ls_matrix_exp.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cg_test.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'distribution_1d_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/distribution_1d_types.F distribution_1d_types.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operators_r12.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' ai_operators_r12.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a' due to: target does not exist
-echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a"
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_array_utils.mod' due to: target does not exist
-Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.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="\"Tue Apr 1 03:40:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/distribution_1d_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' distribution_1d_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbm_tests.mod' due to: target does not exist
true
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a hfx_compression_core_methods.o hfx_contract_block.o hfx_contraction_methods.o
-ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_val_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/input_val_types.F input_val_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_parser_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_parser_methods.F cp_parser_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_blacs_env.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_env.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' cp_parser_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'eri_mme_gaussian.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/eri_mme/eri_mme_gaussian.F eri_mme_gaussian.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'libint_2c_3c.mod' due to: target does not exist
-true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_val_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' input_val_types.F90
/build/reproducible-path/cp2k-2024.2/src/pw/fft_tools.F:3223:62:
3223 | fft_scratch_last%fft_scratch%fft_scratch_id + 1
@@ -4034,118 +4075,59 @@
2882 | fft_scratch_last, &
| ^
note: 'fft_scratch_last' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'distribution_1d_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/common/distribution_1d_types.F 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="\"Sun May 3 07:29:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_gaussian.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/eri_mme/' eri_mme_gaussian.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_units.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="\"Tue Apr 1 03:40:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_gaussian.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/eri_mme/' eri_mme_gaussian.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_contraction_methods.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a' due to: target does not exist
+echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a"
+Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/distribution_1d_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/common/' distribution_1d_types.F90
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a hfx_contract_block.o hfx_contraction_methods.o hfx_compression_core_methods.o
+ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a dbm_tests.o dbm_api.o dbm_multiply_cpu.o dbm_library.o dbm_multiply_gpu.o dbm_mempool.o dbm_shard.o dbm_multiply.o dbm_matrix.o dbm_multiply_opencl.o dbm_multiply_comm.o dbm_distribution.o dbm_mpi.o
-ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbm_tests.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_val_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/input_val_types.F input_val_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cell_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/cell_types.F cell_types.F90
-/build/reproducible-path/cp2k-2024.2/src/input/cp_parser_methods.F:1421:33:
-
- 1421 | object8 = object8*iz8
- | ^
-Warning: 'object8' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/input/cp_parser_methods.F:1381:72:
-
- 1381 | INTEGER(KIND=int_8) :: iz8, object8
- | ^
-note: 'object8' was declared here
-/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_val_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' input_val_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'bibliography.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_blacs_env.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pexsi_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pexsi_types.F pexsi_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cell_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' cell_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'almo_scf_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/almo_scf_types.F 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 May 3 07:29:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pexsi_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cryssym.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cryssym.F 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="\"Sun May 3 07:29:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' almo_scf_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'submatrix_dissection.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/submatrix_dissection.F submatrix_dissection.F90
-/build/reproducible-path/cp2k-2024.2/src/input/cp_parser_methods.F:546:10:
-
- 546 | IF (length > 0) THEN
- | ^
-Warning: 'length' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/input/cp_parser_methods.F:530:89:
-
- 530 | INTEGER :: i, len_trim_inputline, length
- | ^
-note: 'length' 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 May 3 07:29:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cryssym.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cryssym.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ct_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_dissection.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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 May 3 07:29:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ct_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a' due to: target does not exist
-echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a"
-Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a physcon.o whittaker.o list_timerenv.o structure_factor_types.o cp_array_sort.o lapack.o bibliography.o powell.o cp_result_types.o routine_map.o timings_types.o d3_poly.o linear_systems.o string_table.o timings.o cp_files.o cp_iter_types.o list_routinereport.o bessel_lib.o cp_result_methods.o spherical_harmonics.o fparser.o kahan_sum.o parallel_rng_types.o periodic_table.o gamma.o cp_array_utils.o util.o list.o list_callstackentry.o t_c_g0.o cp_units.o list_routinestat.o reference_manager.o cg_test.o print_messages.o splines.o timings_base_type.o structure_factors.o distribution_1d_types.o memory_utilities.o eigenvalueproblems.o cp_log_handling.o t_sh_p_s_c.o timings_report.o callgraph.o mathconstants.o mathlib.o string_utilities.o cp_error_handling.o cp_min_heap.o lebedev.o
-ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a dbm_tests.o dbm_api.o dbm_shard.o dbm_multiply_cpu.o dbm_multiply.o dbm_mpi.o dbm_mempool.o dbm_multiply_gpu.o dbm_multiply_opencl.o dbm_distribution.o dbm_library.o dbm_multiply_comm.o dbm_matrix.o
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_split.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_split.F dbt_tas_split.F90
+ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cell_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_parser_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'distribution_1d_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_blacs_env.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_struct.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_struct.F cp_fm_struct.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ps_wavelet_base.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:154: update target '/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'global_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/global_types.F 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="\"Tue Apr 1 03:40:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_split.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' dbt_tas_split.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'space_groups_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_struct.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_fm_struct.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'distribution_2d_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/distribution_2d_types.F distribution_2d_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_split.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_2d_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' distribution_2d_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/space_groups_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' space_groups_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'global_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/global_types.F global_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'libint_2c_3c.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_neighbor_list_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_neighbor_list_types.F fist_neighbor_list_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"global_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' global_types.F90
-/build/reproducible-path/cp2k-2024.2/src/cryssym.F:479:42:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"global_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' global_types.F90
+/build/reproducible-path/cp2k-2024.2/src/input/cp_parser_methods.F:1421:33:
- 479 | csym%kplink(1, j) = itoj
- | ^
-Warning: 'itoj' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/cryssym.F:383:82:
+ 1421 | object8 = object8*iz8
+ | ^
+Warning: 'object8' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/input/cp_parser_methods.F:1381:72:
- 383 | iq3, istriz, isy, itoj, j, kr, li, lr, &
- | ^
-note: 'itoj' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_upf.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/space_groups_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_2d_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' distribution_2d_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_upf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_upf.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_neighbor_list_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'eri_mme_gaussian.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pexsi_types.mod' due to: target does not exist
-true
+ 1381 | INTEGER(KIND=int_8) :: iz8, object8
+ | ^
+note: 'object8' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'almo_scf_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/almo_scf_types.F 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="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_neighbor_list_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'subcell_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subcell_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' subcell_types.F90
/build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_split.F:578:44:
578 | iproc = pcoord(1)*pdims(2) + pcoord(2)
@@ -4188,23 +4170,40 @@
note: 'pcoord_group[1]' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbcsr_vector.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_operators_r12.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'domain_submatrix_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ct_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ct_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ct_types.F ct_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'space_groups_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'almo_scf_diis_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/almo_scf_diis_types.F almo_scf_diis_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.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 May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subcell_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' subcell_types.F90
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a
ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a dbcsr_vector.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'swarm_message.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/swarm/swarm_message.F 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 May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_diis_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ct_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_types.F tmc_types.F90
+/build/reproducible-path/cp2k-2024.2/src/input/cp_parser_methods.F:546:10:
+
+ 546 | IF (length > 0) THEN
+ | ^
+Warning: 'length' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/input/cp_parser_methods.F:530:89:
+
+ 530 | INTEGER :: i, len_trim_inputline, length
+ | ^
+note: 'length' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a' due to: target does not exist
+echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a"
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'bibliography.mod' due to: target does not exist
+true
+Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a cp_result_types.o splines.o list.o string_utilities.o routine_map.o cp_error_handling.o bibliography.o cp_iter_types.o callgraph.o eigenvalueproblems.o bessel_lib.o powell.o mathlib.o periodic_table.o mathconstants.o cp_units.o timings_types.o timings.o cp_log_handling.o lapack.o timings_base_type.o physcon.o lebedev.o linear_systems.o list_routinereport.o reference_manager.o spherical_harmonics.o print_messages.o whittaker.o cg_test.o kahan_sum.o t_c_g0.o d3_poly.o cp_array_utils.o list_callstackentry.o cp_result_methods.o parallel_rng_types.o cp_files.o timings_report.o cp_array_sort.o memory_utilities.o cp_min_heap.o gamma.o t_sh_p_s_c.o string_table.o structure_factor_types.o list_routinestat.o list_timerenv.o fparser.o util.o distribution_1d_types.o structure_factors.o
+ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'distribution_1d_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_struct.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_struct.F cp_fm_struct.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_types.F90
/build/reproducible-path/cp2k-2024.2/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)
@@ -4215,87 +4214,59 @@
341 | pdim_nonsplit, pdim_split
| ^
note: 'pdim_split' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_message.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' swarm_message.F90
-/build/reproducible-path/cp2k-2024.2/src/atom_upf.F:510:29:
-
- 510 | CPASSERT(ms <= m)
- | ^
-Warning: 'm' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/atom_upf.F:446:69:
-
- 446 | INTEGER :: icount, m, mc, ms
- | ^
-note: 'm' was declared here
-/build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:170: update target '/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_types.F90
-/build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:166: update target '/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:182: update target '/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'dbt_tas_split.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_val_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_struct.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_fm_struct.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ps_wavelet_util.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' ps_wavelet_util.F90
+/build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:146: update target '/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'global_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'space_groups_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_neighbor_list_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'eri_mme_lattice_summation.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/eri_mme/eri_mme_lattice_summation.F eri_mme_lattice_summation.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'almo_scf_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'eri_mme_gaussian.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pexsi_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pexsi_types.F pexsi_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_external_control.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_external_control.F cp_external_control.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'subcell_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 May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' ps_wavelet_util.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cryssym.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'arnoldi_data_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/arnoldi/arnoldi_data_methods.F 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="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pexsi_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cryssym.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cryssym.F cryssym.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'arnoldi_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/arnoldi/arnoldi_methods.F 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="\"Sun May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_external_control.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_external_control.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cryssym.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/arnoldi/' arnoldi_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'arnoldi_data_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/arnoldi/arnoldi_data_methods.F arnoldi_data_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'submatrix_dissection.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/submatrix_dissection.F submatrix_dissection.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ai_operators_r12.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'domain_submatrix_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ct_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'statistical_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/statistical_methods.F statistical_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_data_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/arnoldi/' arnoldi_methods.F90
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_diis_types.F:516:41:
-
- 516 | almo_scf_diis_error_overlap = trace
- | ^
-Warning: 'trace' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_diis_types.F:484:65:
-
- 484 | REAL(KIND=dp) :: trace
- | ^
-note: 'trace' declared here
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_diis_types.F:516:41:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_data_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/arnoldi/' arnoldi_data_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/src/pw/ps_wavelet_util.F:154:15:
- 516 | almo_scf_diis_error_overlap = trace
- | ^
-Warning: 'trace' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_diis_types.F:484:65:
+ 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-2024.2/src/pw/ps_wavelet_util.F:92:74:
- 484 | REAL(KIND=dp) :: trace
- | ^
-note: 'trace' declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_base.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_base.F dbt_tas_base.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_keyword_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/input_keyword_types.F input_keyword_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"statistical_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' statistical_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_keyword_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_base.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' dbt_tas_base.F90
+ 92 | nd2, nd3, nlim, nwb, nwbl, nwbr, nxc, &
+ | ^
+note: 'nlim' was declared here
+/build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:154: update target '/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_dissection.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"statistical_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' statistical_methods.F90
+/build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:150: update target '/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/src/cp_external_control.F:216:53:
216 | time_check = m_walltime() - my_start_time
@@ -4306,26 +4277,6 @@
104 | REAL(KIND=dp) :: my_start_time, my_target_time, t1, t2, &
| ^
note: 'my_start_time' was declared here
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_diis_types.F:317:75:
-
- 317 | diis_env%m_b(idomain)%mdata(in_point + 1, irow + 1) = trace0
- | ^
-Warning: 'trace0' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_diis_types.F:230:66:
-
- 230 | REAL(KIND=dp) :: trace0
- | ^
-note: 'trace0' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/arnoldi/arnoldi_data_methods.F:217:32:
217 | SUBROUTINE set_eval_selection(ar_data, itype)
@@ -4336,20 +4287,25 @@
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-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:182: update target '/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'dbt_tas_split.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_val_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_parser_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ps_wavelet_util.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'distribution_2d_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_upf.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_upf.F atom_upf.F90
/build/reproducible-path/cp2k-2024.2/src/statistical_methods.F:440:19:
440 | SUBROUTINE tests(xdata, globenv)
| ^
Warning: 'tests' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_linked_list_input.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_linked_list_input.F cp_linked_list_input.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_types.F cp_fm_types.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/arnoldi/arnoldi_data_methods.F:318:37:
318 | END FUNCTION get_selected_ritz_val
@@ -4360,18 +4316,112 @@
298 | FUNCTION get_selected_ritz_val(ar_data, ind) RESULT(eval_out)
| ^
note: 'eval_out' was declared here
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_linked_list_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' cp_linked_list_input.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ps_wavelet_util.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'eri_mme_lattice_summation.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/eri_mme/eri_mme_lattice_summation.F eri_mme_lattice_summation.F90
+/build/reproducible-path/cp2k-2024.2/src/cryssym.F:479:42:
+
+ 479 | csym%kplink(1, j) = itoj
+ | ^
+Warning: 'itoj' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/cryssym.F:383:82:
+
+ 383 | iq3, istriz, isy, itoj, j, kr, li, lr, &
+ | ^
+note: 'itoj' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_neighbor_list_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'distribution_2d_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_external_control.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_upf.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="\"Tue Apr 1 03:40:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_upf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_upf.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'subcell_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 May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_fm_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_external_control.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'almo_scf_diis_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/almo_scf_diis_types.F almo_scf_diis_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_analysis_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_analysis_types.F tmc_analysis_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_diis_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_analysis_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'swarm_message.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/swarm/swarm_message.F swarm_message.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_base.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_message.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_base.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' dbt_tas_base.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_keyword_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/input_keyword_types.F input_keyword_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_keyword_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' input_keyword_types.F90
+/build/reproducible-path/cp2k-2024.2/src/atom_upf.F:510:29:
+
+ 510 | CPASSERT(ms <= m)
+ | ^
+Warning: 'm' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/atom_upf.F:446:69:
+
+ 446 | INTEGER :: icount, m, mc, ms
+ | ^
+note: 'm' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_linked_list_input.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_linked_list_input.F cp_linked_list_input.F90
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_diis_types.F:516:41:
+
+ 516 | almo_scf_diis_error_overlap = trace
+ | ^
+Warning: 'trace' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_diis_types.F:484:65:
+
+ 484 | REAL(KIND=dp) :: trace
+ | ^
+note: 'trace' declared here
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_diis_types.F:516:41:
+
+ 516 | almo_scf_diis_error_overlap = trace
+ | ^
+Warning: 'trace' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_diis_types.F:484:65:
+
+ 484 | REAL(KIND=dp) :: trace
+ | ^
+note: 'trace' 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="\"Tue Apr 1 03:40:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_linked_list_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' cp_linked_list_input.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'cp_fm_struct.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ps_wavelet_kernel.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/ps_wavelet_kernel.F ps_wavelet_kernel.F90
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_diis_types.F:317:75:
+
+ 317 | diis_env%m_b(idomain)%mdata(in_point + 1, irow + 1) = trace0
+ | ^
+Warning: 'trace0' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_diis_types.F:230:66:
+
+ 230 | REAL(KIND=dp) :: trace0
+ | ^
+note: 'trace0' 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="\"Tue Apr 1 03:40:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_kernel.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' ps_wavelet_kernel.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pexsi_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'almo_scf_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cryssym.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'arnoldi_data_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'statistical_methods.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_analysis_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_types.F cp_fm_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_fm_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_upf.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'almo_scf_diis_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/swarm/swarm_message.F:822:33:
822 | arr(i) = ICHAR(str(i:i))
@@ -4382,48 +4432,35 @@
237 | TYPE(message_entry_type), POINTER :: curr_entry
| ^
note: 'curr_entry' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ps_wavelet_kernel.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/ps_wavelet_kernel.F ps_wavelet_kernel.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'almo_scf_diis_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_linked_list_input.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_analysis_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_analysis_types.F tmc_analysis_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:46 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_kernel.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' 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 May 3 07:29:46 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_analysis_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'arnoldi_data_methods.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_tas_base.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_io.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_io.F dbt_tas_io.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_reshape_ops.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_reshape_ops.F dbt_tas_reshape_ops.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' dbt_tas_reshape_ops.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'swarm_message.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_analysis_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_linked_list_input.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fft_tools.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_grid_info.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/pw_grid_info.F pw_grid_info.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:46 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_info.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_info.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' pw_grid_info.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_keyword_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_section_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/input_section_types.F 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 May 3 07:29:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_section_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' input_section_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_tas_base.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_reshape_ops.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_reshape_ops.F dbt_tas_reshape_ops.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_io.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_io.F 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 May 3 07:29:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' dbt_tas_reshape_ops.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'submatrix_dissection.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="\"Tue Apr 1 03:40:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_section_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' input_section_types.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' dbt_tas_io.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_grid_info.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_grids.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/pw_grids.F pw_grids.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grids.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' pw_grids.F90
/build/reproducible-path/cp2k-2024.2/src/input/input_section_types.F:931:3:
931 | FUNCTION section_get_cval(section_vals, keyword_name) RESULT(res)
@@ -4434,7 +4471,8 @@
963 | FUNCTION section_get_rvals(section_vals, keyword_name) RESULT(res)
| ^
Warning: 'section_get_rvals' 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 May 3 07:29:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grids.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' pw_grids.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ps_wavelet_kernel.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_types.F:1279:10:
1279 | IF (docol) THEN
@@ -4445,7 +4483,7 @@
1253 | LOGICAL :: docol
| ^
note: 'docol' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_tas_io.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'submatrix_dissection.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_types.F:1119:57:
@@ -4467,8 +4505,16 @@
1063 | INTEGER :: handle, i, ic_max_local, ir_max_local, &
| ^
note: 'ir_max_local' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ps_wavelet_kernel.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_tas_reshape_ops.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_mm.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_mm.F dbt_tas_mm.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'arnoldi_methods.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'arnoldi_api.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_mm.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' 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="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/arnoldi/' arnoldi_api.F90
/build/reproducible-path/cp2k-2024.2/src/pw/pw_grids.F:1408:32:
1408 | DO n = nlim(1), nlim(2)
@@ -4501,12 +4547,28 @@
note: 'n_upperlimit' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_fm_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_linked_list_fm.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_linked_list_fm.F cp_linked_list_fm.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_cfm_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_cfm_types.F cp_cfm_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_diag_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_diag_utils.F cp_fm_diag_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_basic_linalg.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_basic_linalg.F cp_fm_basic_linalg.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_cfm_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_cfm_types.F cp_cfm_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_linked_list_fm.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_linked_list_fm.F cp_linked_list_fm.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_cusolver_api.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_cusolver_api.F cp_fm_cusolver_api.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'preconditioner_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/preconditioner_types.F 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="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_fm_diag_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'et_coupling_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/et_coupling_types.F et_coupling_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_linked_list_fm.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cusolver_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_fm_cusolver_api.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' preconditioner_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_laplace.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mp2_laplace.F mp2_laplace.F90
/build/reproducible-path/cp2k-2024.2/src/pw/pw_grids.F:1001:17:
1001 | .OR. .NOT. blocking) THEN
@@ -4527,26 +4589,20 @@
1457 | mm, n, n_upperlimit, nn
| ^
note: 'n_upperlimit' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_diag_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_diag_utils.F cp_fm_diag_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_cusolver_api.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_cusolver_api.F cp_fm_cusolver_api.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'et_coupling_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/et_coupling_types.F et_coupling_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'preconditioner_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/preconditioner_types.F 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 May 3 07:29:48 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_linked_list_fm.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:48 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_cfm_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_laplace.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:48 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_fm_diag_utils.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:48 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:48 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cusolver_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_fm_cusolver_api.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:48 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:48 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' et_coupling_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:48 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_laplace.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_laplace.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' et_coupling_types.F90
+/build/reproducible-path/cp2k-2024.2/src/arnoldi/arnoldi_api.F:493:13:
+
+ 493 | IF (SQRT(rsnew) < control%threshold) control%converged = .TRUE.
+ | ^
+Warning: 'rsnew' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/arnoldi/arnoldi_api.F:398:83:
+
+ 398 | REAL(KIND=dp) :: alpha, beta, pap, rsnew, rsold
+ | ^
+note: 'rsnew' was declared here
/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_laplace.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_laplace.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_linked_list_fm.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_fm_cusolver_api.mod' due to: target does not exist
@@ -4558,25 +4614,15 @@
720 | SUBROUTINE cp_cfm_to_cfm_triangular(msource, mtarget, uplo)
| ^
Warning: 'cp_cfm_to_cfm_triangular' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_parsing.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/input_parsing.F input_parsing.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gopt_param_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/gopt_param_types.F gopt_param_types.F90
/build/reproducible-path/cp2k-2024.2/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]
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_efield_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_efield_types.F fist_efield_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dispersion_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_parsing.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_param_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' gopt_param_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_cdft_opt_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_cdft_opt_types.F 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="\"Sun May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_efield_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_parsing.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/input_parsing.F input_parsing.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_types.F atom_types.F90
/build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_basic_linalg.F:351:32:
351 | SUBROUTINE cp_fm_lu_decompose(matrix_a, almost_determinant, correct_sign)
@@ -4592,13 +4638,40 @@
2197 | 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 May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_opt_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_cdft_opt_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_types.F atom_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dispersion_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_parsing.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' input_parsing.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_cdft_opt_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_cdft_opt_types.F 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="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' basis_set_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_field.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_opt_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_cdft_opt_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rel_control_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rel_control_types.F rel_control_types.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_field.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_field.F90
/build/reproducible-path/cp2k-2024.2/src/aobasis/basis_set_types.F:463:57:
463 | basis_set%name = basis_set%name//basis_set_add%name
@@ -4611,51 +4684,79 @@
Warning: CHARACTER expression will be truncated in assignment (80/90) at (1) [-Wcharacter-truncation]
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_kpoints.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_kpoints.F input_cp2k_kpoints.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'et_coupling_types.mod' due to: target does not exist
-true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rel_control_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rel_control_types.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'preconditioner_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_density_mixing_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_field.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_kpoints.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_kpoints.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_block_davidson_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_block_davidson_types.F qs_block_davidson_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_mom_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_mixing_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_density_mixing_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_kpoints.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_kpoints.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_density_mixing_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_mom_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fb_input.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_block_davidson_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_block_davidson_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_input.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rel_control_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rel_control_types.F rel_control_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_mixing_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_density_mixing_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_input.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_block_davidson_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_block_davidson_types.F qs_block_davidson_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'et_coupling_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_mm.F:616:76:
+
+ 616 | IF (nze_c_sum > default_nsplit_accept_ratio*MAX(nze_a, nze_b)) THEN
+ | ^
+Warning: 'matrix_c_rep' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_mm.F:135:85:
+
+ 135 | matrix_b_rs, matrix_c_rep, matrix_c_rs
+ | ^
+note: 'matrix_c_rep' was declared here
+/build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_mm.F:637:85:
+
+ 637 | CALL dbt_tas_write_dist(matrix_a_rep, unit_nr_prv, full_info=log_verbose)
+ | ^
+Warning: 'matrix_a_rep' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_mm.F:134:72:
+
+ 134 | TYPE(dbt_tas_type), POINTER :: matrix_a_rep, matrix_a_rs, matrix_b_rep, &
+ | ^
+note: 'matrix_a_rep' was declared here
+/build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_mm.F:459:85:
+
+ 459 | CALL dbt_tas_write_dist(matrix_b_rep, unit_nr_prv, full_info=log_verbose)
+ | ^
+Warning: 'matrix_b_rep' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_mm.F:134:99:
+
+ 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-2024.2/Makefile:513: update target 'fist_efield_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_efield_types.F 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="\"Tue Apr 1 03:40:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_block_davidson_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_block_davidson_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'metadynamics_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rel_control_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rel_control_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'extended_system_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/extended_system_types.F extended_system_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"extended_system_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' extended_system_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_libxc_wrap.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' metadynamics_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'arnoldi_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 May 3 07:29:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc_wrap.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_libxc_wrap.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'iao_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/iao_types.F iao_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_external.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_external.F input_cp2k_external.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_distribution.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_distribution.F input_cp2k_distribution.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_exstate.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iao_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' iao_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_external.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_distribution.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_distribution.F90
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_efield_types.F90
/build/reproducible-path/cp2k-2024.2/src/aobasis/basis_set_types.F:2504:37:
2504 | ss = ss + sss*ca(i)*cb(j)
@@ -4666,29 +4767,22 @@
2484 | REAL(KIND=dp) :: ab, ai, aj, s00, sss
| ^
note: 'sss' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_gaussian_input.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_gaussian_input.F qmmm_gaussian_input.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_exstate.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_exstate.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_atprop.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_atprop.F input_cp2k_atprop.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'reftraj_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/reftraj_types.F reftraj_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'free_energy_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atprop.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_atprop.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'thermal_region_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermal_region_types.F thermal_region_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_restart_rng.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"free_energy_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' free_energy_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'optimize_basis_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/optimize_basis_utils.F optimize_basis_utils.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_rng.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_restart_rng.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_optimize_basis.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_optimize_basis.F input_optimize_basis.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_libxc_wrap.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' metadynamics_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_parsing.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc_wrap.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_libxc_wrap.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'extended_system_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/extended_system_types.F extended_system_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'arnoldi_api.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_exstate.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"extended_system_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_exstate.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_exstate.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_distribution.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_distribution.F input_cp2k_distribution.F90
/build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_basic_linalg.F:2151:34:
2151 | ALLOCATE (work_sp(lwork))
@@ -4699,23 +4793,23 @@
2114 | INTEGER :: nrows, ncols, handle, lwork, nrows_local, ncols_local
| ^
note: 'lwork' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'glbopt_history.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_history.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' 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="\"Sun May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_basis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_optimize_basis.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'swarm_mpi.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/swarm/swarm_mpi.F swarm_mpi.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_move_handle.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_move_handle.F tmc_move_handle.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_tas_reshape_ops.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_grids.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_external.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_distribution.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_distribution.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_gaussian_input.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_gaussian_input.F qmmm_gaussian_input.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_external.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_external.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_read.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_read.F input_cp2k_read.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'iao_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/iao_types.F iao_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_laplace.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'external_potential_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/external_potential_types.F external_potential_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_output_handling.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_output_handling.F 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="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_read.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_read.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_atprop.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_atprop.F input_cp2k_atprop.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iao_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' iao_types.F90
/build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_basic_linalg.F:1711:45:
1711 | IF (PRESENT(det_a)) det_a = determinant
@@ -4726,10 +4820,6 @@
1552 | REAL(KIND=dp) :: determinant, my_eps_svd
| ^
note: 'determinant' was declared here
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_mpi.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' 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="\"Sun May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_handle.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/external_potential_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_output_handling.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' cp_output_handling.F90
/build/reproducible-path/cp2k-2024.2/src/atom_types.F:2906:56:
2906 | potential%npot(l) = potential%npot(l) + 1
@@ -4740,103 +4830,148 @@
2851 | INTEGER :: i, ic, l, ncore, nel
| ^
note: 'l' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'reftraj_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atprop.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_atprop.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'thermal_region_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermal_region_types.F thermal_region_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'free_energy_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' reftraj_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_restart_rng.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"free_energy_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' free_energy_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gopt_param_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/gopt_param_types.F gopt_param_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_rng.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_restart_rng.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'optimize_basis_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/optimize_basis_utils.F optimize_basis_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_optimize_basis.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_optimize_basis.F input_optimize_basis.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_param_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' gopt_param_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a' due to: target does not exist
+echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.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="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' optimize_basis_utils.F90
+Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a arnoldi_api.o arnoldi_data_methods.o arnoldi_types.o arnoldi_geev.o arnoldi_methods.o
+ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_move_handle.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_basis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_optimize_basis.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'swarm_mpi.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/swarm/swarm_mpi.F swarm_mpi.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'glbopt_history.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_handle.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_move_handle.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_mpi.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' swarm_mpi.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_grids.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'external_potential_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_history.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' glbopt_history.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_output_handling.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input/cp_output_handling.F cp_output_handling.F90
/build/reproducible-path/cp2k-2024.2/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-2024.2/src/input/cp_output_handling.F:723:23:
-
- 723 | outName = outPath
- | 1
-Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_cfm_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="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/external_potential_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' external_potential_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_fm_diag_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_pool_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_pool_types.F cp_fm_pool_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gopt_param_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_efield_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dispersion_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_cfm_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 May 3 07:29:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_pool_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_output_handling.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/input/' cp_output_handling.F90
/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'cp_fm_pool_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_pool_types.F cp_fm_pool_types.F90
+/build/reproducible-path/cp2k-2024.2/src/input/cp_output_handling.F:723:23:
+
+ 723 | outName = outPath
+ | 1
+Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation]
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dispersion_types.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_pool_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_fm_pool_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_cdft_opt_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_field.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rel_control_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_diis_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_diis_types.F qs_diis_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_kpoints.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_density_mixing_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_diis_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_mom_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'qs_density_mixing_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_input.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rel_control_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_diis_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'metadynamics_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_efield_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'extended_system_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'metadynamics_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_libxc_wrap.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_parsing.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_check.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_check.F input_cp2k_check.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'extended_system_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'arnoldi_api.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_check.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_check.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'iterate_matrix.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/iterate_matrix.F iterate_matrix.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_charge_mixing.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_charge_mixing.F qs_charge_mixing.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/arnoldi/' arnoldi_api.F90
-/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charge_mixing.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_charge_mixing.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_external.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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="\"Tue Apr 1 03:40:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iterate_matrix.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charge_mixing.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_charge_mixing.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_exstate.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_distribution.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_exstate.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_external.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_gaussian_input.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_read.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'iao_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_atprop.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_read.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_read.F input_cp2k_read.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'csvr_system_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/csvr_system_types.F csvr_system_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gle_system_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/gle_system_types.F gle_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 May 3 07:29:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_read.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' csvr_system_types.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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 May 3 07:29:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gle_system_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' gle_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="\"Tue Apr 1 03:40:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' csvr_system_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'reftraj_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/subsys/external_potential_types.F:2336:72:
2336 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1)))
@@ -4857,61 +4992,37 @@
1686 | 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="\"Tue Apr 1 03:40:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gle_system_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' gle_system_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'thermal_region_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'al_system_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/al_system_types.F al_system_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'reftraj_types.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'free_energy_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'thermal_region_types.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_restart_rng.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gopt_param_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'negf_green_cache.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"al_system_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' al_system_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_optimize_basis.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'glbopt_history.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="\"Tue Apr 1 03:40:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"al_system_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' al_system_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_move_handle.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'swarm_mpi.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_move_handle.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'glbopt_history.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_mm.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_cache.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_green_cache.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_optimize_basis.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_types.F dbt_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_cache.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_green_cache.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_test.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_test.F dbt_tas_test.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_mm.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' dbt_tas_mm.F90
-/build/reproducible-path/cp2k-2024.2/src/arnoldi/arnoldi_api.F:493:13:
-
- 493 | IF (SQRT(rsnew) < control%threshold) control%converged = .TRUE.
- | ^
-Warning: 'rsnew' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/arnoldi/arnoldi_api.F:398:83:
-
- 398 | REAL(KIND=dp) :: alpha, beta, pap, rsnew, rsold
- | ^
-note: 'rsnew' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_output_handling.mod' due to: target does not exist
-true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' pw_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_cfm_basic_linalg.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_cfm_basic_linalg.F cp_cfm_basic_linalg.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a' due to: target does not exist
-echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a"
-Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a input_enumeration_types.o input_section_types.o cp_parser_ilist_methods.o cp_parser_types.o cp_parser_status_types.o input_keyword_types.o cp_parser_methods.o input_parsing.o cp_parser_inpp_methods.o cp_output_handling.o cp_parser_inpp_types.o cp_linked_list_input.o cp_parser_ilist_types.o input_val_types.o cp_parser_buffer_types.o
-ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'outer_scf_control_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_cfm_basic_linalg.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_control.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"outer_scf_control_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' outer_scf_control_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xtb_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xtb_types.F 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="\"Tue Apr 1 03:40:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' dbt_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_test.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' dbt_tas_test.F90
/build/reproducible-path/cp2k-2024.2/src/subsys/external_potential_types.F:1629:72:
1629 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1)))
@@ -4932,12 +5043,13 @@
1492 | strlen1, strlen2
| ^
note: 'strlen1' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dftb_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_control.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xtb_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_diis_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="\"Tue Apr 1 03:40:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' pw_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_output_handling.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_fm_basic_linalg.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_cfm_basic_linalg.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_cfm_basic_linalg.F cp_cfm_basic_linalg.F90
/build/reproducible-path/cp2k-2024.2/src/subsys/external_potential_types.F:1444:72:
1444 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1)))
@@ -4958,51 +5070,80 @@
1303 | INTEGER :: irep, l, strlen1, strlen2
| ^
note: 'strlen2' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_fm_pool_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="\"Tue Apr 1 03:40:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_cfm_basic_linalg.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_dlaf_api.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_dlaf_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_lattice_summation.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/eri_mme/' eri_mme_lattice_summation.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a' due to: target does not exist
+echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a"
+Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a cp_parser_ilist_methods.o cp_parser_status_types.o input_val_types.o input_keyword_types.o cp_linked_list_input.o input_parsing.o cp_parser_inpp_types.o cp_parser_methods.o input_enumeration_types.o cp_parser_inpp_methods.o cp_parser_ilist_types.o cp_output_handling.o input_section_types.o cp_parser_types.o cp_parser_buffer_types.o
+ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_dbcsr_operations.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_dbcsr_operations.F cp_dbcsr_operations.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_hfx.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_hfx.F input_cp2k_hfx.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dftb_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gaussian_gridlevels.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw_env/gaussian_gridlevels.F gaussian_gridlevels.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_hfx.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_hfx.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'linesearch.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/gaussian_gridlevels.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw_env/' gaussian_gridlevels.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_scf.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_scf.F input_cp2k_scf.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_operations.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_dbcsr_operations.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'outer_scf_control_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/outer_scf_control_types.F outer_scf_control_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_control.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xas_control.F xas_control.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xtb_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xtb_types.F 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="\"Tue Apr 1 03:40:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"outer_scf_control_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:40:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_control.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_control.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dftb_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dftb_utils.F qs_dftb_utils.F90
/build/reproducible-path/cp2k-2024.2/src/fm/cp_cfm_basic_linalg.F:191:37:
191 | SUBROUTINE cp_cfm_schur_product_cc(matrix_a, matrix_b, matrix_c)
| ^
Warning: 'cp_cfm_schur_product_cc' defined but not used [-Wunused-function]
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"linesearch.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dftb_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gaussian_gridlevels.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw_env/gaussian_gridlevels.F gaussian_gridlevels.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_fm_pool_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="\"Tue Apr 1 03:40:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/gaussian_gridlevels.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw_env/' gaussian_gridlevels.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_diis_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_hfx.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_hfx.F input_cp2k_hfx.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_scf.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_scf.F input_cp2k_scf.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_hfx.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_hfx.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'linesearch.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_scf.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fp_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fp_types.F 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="\"Sun May 3 07:29:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_scf.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fp_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_check.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_check.F input_cp2k_check.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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="\"Tue Apr 1 03:40:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"linesearch.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' linesearch.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_pwdft.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_pwdft.F input_cp2k_pwdft.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fp_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_optimization.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_optimization.F atom_optimization.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_check.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_pwdft.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_pwdft.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'iterate_matrix.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_charge_mixing.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_transport.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_optimization.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_optimization.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_voronoi.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_transport.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_transport.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_projection_rtp.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_voronoi.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_voronoi.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_almo.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_almo.F input_cp2k_almo.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_projection_rtp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_projection_rtp.F90
/build/reproducible-path/cp2k-2024.2/src/linesearch.F:321:32:
321 | this%step_size = step_size
@@ -5023,81 +5164,16 @@
302 | LOGICAL :: is_done
| ^
note: 'is_done' 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 May 3 07:29:53 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_check.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_check.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'arnoldi_api.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_charge_mixing.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_almo.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_almo.F input_cp2k_almo.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_voronoi.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_voronoi.F input_cp2k_voronoi.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_transport.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_transport.F input_cp2k_transport.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_projection_rtp.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:53 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_almo.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:53 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_voronoi.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_voronoi.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_opt.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:53 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_projection_rtp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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 May 3 07:29:53 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_transport.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_transport.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:53 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_opt.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_opt.F90
-/build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_mm.F:616:76:
-
- 616 | IF (nze_c_sum > default_nsplit_accept_ratio*MAX(nze_a, nze_b)) THEN
- | ^
-Warning: 'matrix_c_rep' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_mm.F:135:85:
-
- 135 | matrix_b_rs, matrix_c_rep, matrix_c_rs
- | ^
-note: 'matrix_c_rep' was declared here
-/build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_mm.F:637:85:
-
- 637 | CALL dbt_tas_write_dist(matrix_a_rep, unit_nr_prv, full_info=log_verbose)
- | ^
-Warning: 'matrix_a_rep' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_mm.F:134:72:
-
- 134 | TYPE(dbt_tas_type), POINTER :: matrix_a_rep, matrix_a_rs, matrix_b_rep, &
- | ^
-note: 'matrix_a_rep' was declared here
-/build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_mm.F:459:85:
-
- 459 | CALL dbt_tas_write_dist(matrix_b_rep, unit_nr_prv, full_info=log_verbose)
- | ^
-Warning: 'matrix_b_rep' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_mm.F:134:99:
-
- 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-2024.2/Makefile:513: update target 'input_cp2k_pwdft.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_pwdft.F input_cp2k_pwdft.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:53 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_pwdft.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_pwdft.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_almo.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_almo.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_free_energy.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_free_energy.F input_cp2k_free_energy.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_eip.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_free_energy.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_opt.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_eip.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_eip.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_nnp.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_nnp.F input_cp2k_nnp.F90
/build/reproducible-path/cp2k-2024.2/src/input_cp2k_almo.F:672:10:
@@ -5110,196 +5186,369 @@
580 | INTEGER :: optimizer_type
| ^
note: 'optimizer_type' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_eip.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_eip.F input_cp2k_eip.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_embed.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_embed.F input_cp2k_embed.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_nnp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_nnp.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_mixed.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:53 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_free_energy.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_nnp.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mixed.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_eip.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_eip.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_embed.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_embed.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_resp.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_resp.F input_cp2k_resp.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_embed.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_embed.F input_cp2k_embed.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_read.mod' due to: target does not exist
-true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_resp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_resp.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'csvr_system_types.mod' due to: target does not exist
true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mixed.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_mixed.F90
/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_embed.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_embed.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'al_system_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_vib.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/input_cp2k_vib.F input_cp2k_vib.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'optimize_basis_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'farming_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/farming_methods.F farming_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_constraints.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_resp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_resp.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_negf.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_negf.F input_cp2k_negf.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_optimize_input.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_optimize_input.F input_optimize_input.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_green_cache.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_negf.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_negf.F input_cp2k_negf.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_vib.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' input_cp2k_vib.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_constraints.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_constraints.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_negf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_negf.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a' due to: target does not exist
-echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a"
-Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a arnoldi_methods.o arnoldi_api.o arnoldi_data_methods.o arnoldi_geev.o arnoldi_types.o
-ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'glbopt_input.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/swarm/glbopt_input.F glbopt_input.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'optimize_basis_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_constraints.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_constraints.F input_cp2k_constraints.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'farming_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_vib.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' input_cp2k_vib.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_negf.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_constraints.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_constraints.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' farming_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'glbopt_minhop.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/swarm/glbopt_minhop.F glbopt_minhop.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'glbopt_input.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/swarm/glbopt_input.F glbopt_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="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_minhop.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' glbopt_minhop.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_tas_test.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' glbopt_input.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a' due to: target does not exist
+echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a"
+Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a dbt_tas_types.o dbt_tas_io.o dbt_tas_global.o dbt_tas_util.o dbt_tas_test.o dbt_tas_base.o dbt_tas_mm.o dbt_tas_split.o dbt_tas_reshape_ops.o
+ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_unittest.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_unittest.F dbt_tas_unittest.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'external_potential_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_unittest.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' dbt_tas_unittest.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_elpa.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_elpa.F cp_fm_elpa.F90
/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' glbopt_input.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_fm_dlaf_api.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'basis_set_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dct.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/dct.F dct.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_minhop.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' glbopt_minhop.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_elpa.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_fm_elpa.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'realspace_grid_cube.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/realspace_grid_cube.F realspace_grid_cube.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_dbcsr_operations.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_dbcsr_operations.F 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 May 3 07:29:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dct.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' dct.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'outer_scf_control_types.mod' due to: target does not exist
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dct.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' dct.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_o3c_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F qs_o3c_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' realspace_grid_cube.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_dbcsr_operations.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' realspace_grid_cube.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hirshfeld_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hirshfeld_types.F hirshfeld_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_operations.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hirshfeld_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_control.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="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_o3c_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'outer_scf_control_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_control.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xtb_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dftb_utils.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_set_basis.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_set_basis.F 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="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hirshfeld_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_set_basis.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_harmonics_atom.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_harmonics_atom.F qs_harmonics_atom.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gapw_1c_basis_set.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/gapw_1c_basis_set.F gapw_1c_basis_set.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harmonics_atom.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_harmonics_atom.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gaussian_gridlevels.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+
+ 160 | ALLOCATE (o3c%ijpair(nij))
+ | ^
+Warning: 'o3c_pair_type.49.ijk.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+
+ 160 | ALLOCATE (o3c%ijpair(nij))
+ | ^
+note: 'o3c_pair_type.49' declared here
+/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+
+ 160 | ALLOCATE (o3c%ijpair(nij))
+ | ^
+Warning: 'o3c_pair_type.49.ijk.dtype.elem_len' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+
+ 160 | ALLOCATE (o3c%ijpair(nij))
+ | ^
+note: 'o3c_pair_type.49' declared here
+/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+
+ 160 | ALLOCATE (o3c%ijpair(nij))
+ | ^
+Warning: 'o3c_pair_type.49.ijk.dtype.version' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+
+ 160 | ALLOCATE (o3c%ijpair(nij))
+ | ^
+note: 'o3c_pair_type.49' declared here
+/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+
+ 160 | ALLOCATE (o3c%ijpair(nij))
+ | ^
+Warning: 'o3c_pair_type.49' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+
+ 160 | ALLOCATE (o3c%ijpair(nij))
+ | ^
+note: 'o3c_pair_type.49' declared here
+/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+
+ 160 | ALLOCATE (o3c%ijpair(nij))
+ | ^
+Warning: 'o3c_pair_type.49.ijk.dtype.attribute' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+
+ 160 | ALLOCATE (o3c%ijpair(nij))
+ | ^
+note: 'o3c_pair_type.49' declared here
+/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+
+ 160 | ALLOCATE (o3c%ijpair(nij))
+ | ^
+Warning: 'o3c_pair_type.49' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+
+ 160 | ALLOCATE (o3c%ijpair(nij))
+ | ^
+note: 'o3c_pair_type.49' declared here
+/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+
+ 160 | ALLOCATE (o3c%ijpair(nij))
+ | ^
+Warning: 'o3c_pair_type.49' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+
+ 160 | ALLOCATE (o3c%ijpair(nij))
+ | ^
+note: 'o3c_pair_type.49' 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="\"Tue Apr 1 03:40:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gapw_1c_basis_set.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' gapw_1c_basis_set.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_mo_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_mo_types.F qs_mo_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_hfx.mod' due to: target does not exist
true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_mo_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ot_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ot_types.F qs_ot_types.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'input_cp2k_scf.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/src/gapw_1c_basis_set.F:137:41:
+
+ 137 | rr = LOG(zmall/0.05_dp)/LOG(fr1)
+ | ^
+Warning: 'fr1' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/gapw_1c_basis_set.F:59:69:
+
+ 59 | REAL(KIND=dp) :: fmin, fr1, fr2, fz, rr, xz, yz, zmall, &
+ | ^
+note: 'fr1' was declared here
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ot_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_rho0_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_rho0_types.F qs_rho0_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gaussian_gridlevels.mod' due to: target does not exist
-true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kpoint_transitional.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/kpoint_transitional.F kpoint_transitional.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_rho0_types.F90
+/build/reproducible-path/cp2k-2024.2/src/pw/dct.F:451:59:
+
+ 451 | ALLOCATE (srcs_expand_all(maxn_sendrecv, group_size))
+ | ^
+Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/pw/dct.F:269:73:
+
+ 269 | maxn_sendrecv, rs_dim1, rs_dim2, &
+ | ^
+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="\"Tue Apr 1 03:40:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_transitional.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kpoint_transitional.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_period_efield_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_period_efield_types.F qs_period_efield_types.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/pw/realspace_grid_cube.F:648:92:
+
+ 648 | INTEGER :: counter, i, islice, j, k, last_z, &
+ | ^
+note: 'last_z' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'linesearch.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_scf.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fp_types.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_pwdft.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'parallel_gemm_api.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/parallel_gemm_api.F 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="\"Sun May 3 07:29:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_rho0_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_optimization.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_optimization.F atom_optimization.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_check.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="\"Tue Apr 1 03:40:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_period_efield_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_period_efield_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_optimization.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'iterate_matrix.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/iterate_matrix.F iterate_matrix.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_almo.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="\"Tue Apr 1 03:40:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"parallel_gemm_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' parallel_gemm_api.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'generic_shg_integrals.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/shg_int/generic_shg_integrals.F generic_shg_integrals.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'generic_shg_integrals_init.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/shg_int/' generic_shg_integrals.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_dbcsr_cholesky.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_dbcsr_cholesky.F 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="\"Tue Apr 1 03:40:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cholesky.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_dbcsr_cholesky.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'generic_os_integrals.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/generic_os_integrals.F generic_os_integrals.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/pw/dct.F:1046:87:
+
+ 1046 | lb3_new, loc, maxn_sendrecv, rs_mpo, &
+ | ^
+note: 'maxn_sendrecv' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_transport.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"parallel_gemm_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' parallel_gemm_api.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_voronoi.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_transport.mod' due to: target does not exist
-true
+/build/reproducible-path/cp2k-2024.2/src/atom_utils.F:1724:74:
+
+ 1724 | assoc_laguerre(z, REAL(nu, KIND=dp) + 0.5_dp, i - 1)
+ | ^
+Warning: 'res' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/atom_utils.F:1786:57:
+
+ 1786 | ELEMENTAL FUNCTION assoc_laguerre(z, a, n) RESULT(res)
+ | ^
+note: 'res' was declared here
/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"generic_os_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' generic_os_integrals.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_almo.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_opt.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_optimization.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_optimization.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_free_energy.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_optimize_ri_basis_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/lri_optimize_ri_basis_types.F lri_optimize_ri_basis_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tip_scan_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tip_scan_types.F tip_scan_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iterate_matrix.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' iterate_matrix.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'soc_pseudopotential_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/soc_pseudopotential_utils.F soc_pseudopotential_utils.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tip_scan_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' tip_scan_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_b97_fxc.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_b97_fxc.F xc_b97_fxc.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_pwdft.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"soc_pseudopotential_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' soc_pseudopotential_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_eip.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_nnp.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97_fxc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_b97_fxc.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_embed.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_mixed.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_resp.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_embed.mod' due to: target does not exist
-true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tip_scan_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' tip_scan_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'thermostat_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97_fxc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_b97_fxc.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'negf_integr_cc.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/negf_integr_cc.F negf_integr_cc.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'negf_integr_simpson.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/negf_integr_simpson.F 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="\"Sun May 3 07:29:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' thermostat_types.F90
-/build/reproducible-path/cp2k-2024.2/src/pw/dct.F:451:59:
-
- 451 | ALLOCATE (srcs_expand_all(maxn_sendrecv, group_size))
- | ^
-Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/pw/dct.F:269:73:
-
- 269 | maxn_sendrecv, rs_dim1, rs_dim2, &
- | ^
-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 May 3 07:29:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_cc.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_simpson.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_integr_simpson.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_negf.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="\"Tue Apr 1 03:40:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' thermostat_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'negf_integr_cc.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/negf_integr_cc.F negf_integr_cc.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'glbopt_minhop.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_optimize_input.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_simpson.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_integr_simpson.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'glbopt_input.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_vib.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_optimize_input.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'glbopt_minhop.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_negf.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'farming_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_tas_mm.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_types.mod' due to: target does not exist
true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_cc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_integr_cc.F90
+/build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:170: update target '/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'pw_gpu.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/pw_gpu.F pw_gpu.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:513: update target 'pw_copy_all.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_gpu.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' pw_gpu.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atomic_kind_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_gpu.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' pw_gpu.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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 May 3 07:29:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_copy_all.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' 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 May 3 07:29:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' atomic_kind_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_copy_all.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' pw_copy_all.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_cfm_diag.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' atomic_kind_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_fm_elpa.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_cholesky.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_cholesky.F cp_fm_cholesky.F90
/build/reproducible-path/cp2k-2024.2/src/negf_integr_cc.F:398:57:
398 | ALLOCATE (zdata_tmp(nnodes_half + nnodes_exist))
@@ -5310,6 +5559,8 @@
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="\"Tue Apr 1 03:40:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_diag.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_cfm_diag.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cholesky.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_fm_cholesky.F90
/build/reproducible-path/cp2k-2024.2/src/negf_integr_cc.F:284:41:
284 | ALLOCATE (xnodes_next(nnodes_next))
@@ -5320,122 +5571,50 @@
258 | nnodes_half, nnodes_next
| ^
note: 'nnodes_next' declared here
-/build/reproducible-path/cp2k-2024.2/src/pw/dct.F:1090:46:
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'basis_set_container_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/basis_set_container_types.F basis_set_container_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'aux_basis_set.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/aux_basis_set.F 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="\"Tue Apr 1 03:40:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_container_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' basis_set_container_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'soft_basis_set.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/soft_basis_set.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' soft_basis_set.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'paw_basis_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/aux_basis_set.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' aux_basis_set.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_o3c_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/src/aobasis/basis_set_container_types.F:202:10:
- 1090 | ALLOCATE (pcs_bnds(2, 3, maxn_sendrecv))
- | ^
-Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/pw/dct.F:1046:87:
+ 202 | IF (ibas /= 0) THEN
+ | ^
+Warning: 'ibas' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/aobasis/basis_set_container_types.F:183:77:
- 1046 | lb3_new, loc, maxn_sendrecv, rs_mpo, &
- | ^
-note: 'maxn_sendrecv' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_dlaf_api.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_dlaf_api.F cp_fm_dlaf_api.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_elpa.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_elpa.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' 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 May 3 07:29:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_dlaf_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_fm_dlaf_api.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_cfm_diag.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_cfm_diag.F cp_cfm_diag.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'basis_set_types.mod' due to: target does not exist
-true
+ 183 | INTEGER :: basis_nr, i, ibas
+ | ^
+note: 'ibas' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hirshfeld_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gapw_1c_basis_set.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/gapw_1c_basis_set.F gapw_1c_basis_set.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_lattice_summation.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/eri_mme/' eri_mme_lattice_summation.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_diag.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_cfm_diag.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gapw_1c_basis_set.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' gapw_1c_basis_set.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_utils.F atom_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_set_basis.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_set_basis.F atom_set_basis.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_harmonics_atom.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_harmonics_atom.F qs_harmonics_atom.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_rho0_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_types.F pao_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'realspace_grid_cube.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="\"Tue Apr 1 03:40:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/paw_basis_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' paw_basis_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_set_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 May 3 07:29:57 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_set_basis.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'parallel_gemm_api.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_harmonics_atom.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_optimization.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gapw_1c_basis_set.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'generic_shg_integrals.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:57 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harmonics_atom.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_harmonics_atom.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:57 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:57 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/shg_int/' generic_shg_integrals.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/gapw_1c_basis_set.F:137:41:
-
- 137 | rr = LOG(zmall/0.05_dp)/LOG(fr1)
- | ^
-Warning: 'fr1' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/gapw_1c_basis_set.F:59:69:
-
- 59 | REAL(KIND=dp) :: fmin, fr1, fr2, fz, rr, xz, yz, zmall, &
- | ^
-note: 'fr1' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'generic_os_integrals.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/generic_os_integrals.F generic_os_integrals.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:57 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"generic_os_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' generic_os_integrals.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'matrix_exp.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/matrix_exp.F matrix_exp.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'generic_shg_integrals_init.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:57 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"matrix_exp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' matrix_exp.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_optimize_ri_basis_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/lri_optimize_ri_basis_types.F lri_optimize_ri_basis_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:57 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:57 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' lri_optimize_ri_basis_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tip_scan_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_mo_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_b97_fxc.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ot_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'thermostat_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_rho0_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'negf_green_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_green_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_integr_cc.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kpoint_transitional.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_integr_simpson.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_period_efield_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'swarm_input.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/swarm/swarm_input.F swarm_input.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_types.F dbt_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_test.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_test.F dbt_tas_test.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_local_rho_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_local_rho_types.F qs_local_rho_types.F90
/build/reproducible-path/cp2k-2024.2/src/pw/dct.F:208:42:
208 | ALLOCATE (flipg_stat(maxn_sendrecv))
@@ -5476,6 +5655,8 @@
177 | REAL(KIND=dp), DIMENSION(3) :: scfac
| ^
note: 'scfac[2]' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_types.F pao_types.F90
/build/reproducible-path/cp2k-2024.2/src/pw/dct.F:105:50:
105 | ALLOCATE (dct_env%flipg_stat(maxn_sendrecv))
@@ -5486,156 +5667,162 @@
90 | INTEGER :: handle, maxn_sendrecv
| ^
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 May 3 07:29:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' swarm_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 May 3 07:29:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' dbt_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_test.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_rho_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:40:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_active_space_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_active_space_types.F qs_active_space_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'parallel_gemm_api.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_active_space_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'generic_shg_integrals_init.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'realspace_grid_cube.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_density_matrices.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_density_matrices.F qs_density_matrices.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_matrices.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_density_matrices.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_cfm_diag.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_o3c_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_o3c_methods.F qs_o3c_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'paw_basis_types.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_o3c_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'matrix_exp.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/matrix_exp.F matrix_exp.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"matrix_exp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' matrix_exp.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'almo_scf_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F almo_scf_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tip_scan_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'soc_pseudopotential_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_soc_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' almo_scf_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_b97_fxc.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'thermostat_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_integr_simpson.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_integr_cc.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'negf_green_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_soc_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'swarm_input.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/swarm/swarm_input.F swarm_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="\"Tue Apr 1 03:40:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_green_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_block.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' swarm_input.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_gpu.mod' due to: target does not exist
true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_block.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' dbt_block.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_copy_all.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atomic_kind_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_fm_dlaf_api.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_fm_elpa.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_fm_cholesky.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'basis_set_container_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/basis_set_container_types.F basis_set_container_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'soft_basis_set.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/soft_basis_set.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:29:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_container_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' basis_set_container_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'aux_basis_set.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/aux_basis_set.F aux_basis_set.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'paw_basis_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/aobasis/paw_basis_types.F paw_basis_types.F90
-/build/reproducible-path/cp2k-2024.2/src/atom_utils.F:1724:74:
-
- 1724 | assoc_laguerre(z, REAL(nu, KIND=dp) + 0.5_dp, i - 1)
- | ^
-Warning: 'res' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/atom_utils.F:1786:57:
-
- 1786 | ELEMENTAL FUNCTION assoc_laguerre(z, a, n) RESULT(res)
- | ^
-note: 'res' was declared here
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/paw_basis_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:29:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/aux_basis_set.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/aobasis/' aux_basis_set.F90
-/build/reproducible-path/cp2k-2024.2/src/aobasis/basis_set_container_types.F:202:10:
-
- 202 | IF (ibas /= 0) THEN
- | ^
-Warning: 'ibas' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/aobasis/basis_set_container_types.F:183:77:
-
- 183 | INTEGER :: basis_nr, i, ibas
- | ^
-note: 'ibas' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a' due to: target does not exist
+echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a"
+Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dct.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_o3c_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F qs_o3c_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_dbcsr_operations.mod' due to: target does not exist
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a ai_os_rr.o basis_set_container_types.o ai_operators_r12.o ai_elec_field.o ai_derivatives.o ai_fermi_contact.o aux_basis_set.o ai_onecenter.o soft_basis_set.o sto_ng.o orbital_pointers.o paw_basis_types.o ai_eri_debug.o ai_contraction.o ai_verfc.o ai_overlap_aabb.o ai_overlap3.o ao_util.o basis_set_types.o ai_angmom.o orbital_transformation_matrices.o ai_coulomb.o ai_overlap3_debug.o ai_operator_ra2m.o ai_contraction_sphi.o ai_overlap_ppl.o ai_overlap.o ai_kinetic.o ai_oneelectron.o ai_coulomb_test.o orbital_symbols.o ai_spin_orbit.o ai_overlap_debug.o ai_moments.o
+ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_environment_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/lri_environment_types.F lri_environment_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_force_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_force_types.F qs_force_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'basis_set_container_types.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:59 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_o3c_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_nonbond_env_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_nonbond_env_types.F fist_nonbond_env_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_cdft_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_cdft_types.F qs_cdft_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'basis_set_container_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gapw_1c_basis_set.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'soft_basis_set.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' lri_environment_types.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_cdft_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_matrix_pools.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_matrix_pools.F qs_matrix_pools.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'scf_control_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_pools.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scf_control_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' scf_control_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_local_rho_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_harmonics_atom.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_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 May 3 07:29:59 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_nonbond_env_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'soft_basis_set.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'exstates_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/exstates_types.F exstates_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_active_space_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_mo_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_mo_types.F qs_mo_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:59 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_cdft_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:59 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_mo_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kpoint_transitional.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/kpoint_transitional.F kpoint_transitional.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:29:59 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_transitional.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kpoint_transitional.F90
-/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
-
- 160 | ALLOCATE (o3c%ijpair(nij))
- | ^
-Warning: 'o3c_pair_type.49.ijk.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
-
- 160 | ALLOCATE (o3c%ijpair(nij))
- | ^
-note: 'o3c_pair_type.49' declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
-
- 160 | ALLOCATE (o3c%ijpair(nij))
- | ^
-Warning: 'o3c_pair_type.49.ijk.dtype.elem_len' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
-
- 160 | ALLOCATE (o3c%ijpair(nij))
- | ^
-note: 'o3c_pair_type.49' declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
-
- 160 | ALLOCATE (o3c%ijpair(nij))
- | ^
-Warning: 'o3c_pair_type.49.ijk.dtype.version' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
-
- 160 | ALLOCATE (o3c%ijpair(nij))
- | ^
-note: 'o3c_pair_type.49' declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
-
- 160 | ALLOCATE (o3c%ijpair(nij))
- | ^
-Warning: 'o3c_pair_type.49' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exstates_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' exstates_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_nonbond_env_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_nonbond_env_types.F fist_nonbond_env_types.F90
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F:2941:16:
- 160 | ALLOCATE (o3c%ijpair(nij))
- | ^
-note: 'o3c_pair_type.49' declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+ 2941 | IF (use_ranges_only) THEN
+ | ^
+Warning: 'use_ranges_only' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F:2813:85:
- 160 | ALLOCATE (o3c%ijpair(nij))
- | ^
-Warning: 'o3c_pair_type.49.ijk.dtype.attribute' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+ 2813 | LOGICAL :: use_both, use_ranges_only, use_thr_only
+ | ^
+note: 'use_ranges_only' was declared here
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F:2957:21:
- 160 | ALLOCATE (o3c%ijpair(nij))
- | ^
-note: 'o3c_pair_type.49' declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+ 2957 | ELSE IF (use_thr_only) THEN
+ | ^
+Warning: 'use_thr_only' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F:2813:99:
- 160 | ALLOCATE (o3c%ijpair(nij))
- | ^
-Warning: 'o3c_pair_type.49' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+ 2813 | LOGICAL :: use_both, use_ranges_only, use_thr_only
+ | ^
+note: 'use_thr_only' was declared here
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F:2928:13:
- 160 | ALLOCATE (o3c%ijpair(nij))
- | ^
-note: 'o3c_pair_type.49' declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+ 2928 | IF (use_both) THEN
+ | ^
+Warning: 'use_both' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F:2813:68:
- 160 | ALLOCATE (o3c%ijpair(nij))
- | ^
-Warning: 'o3c_pair_type.49' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_o3c_types.F:160:32:
+ 2813 | LOGICAL :: use_both, use_ranges_only, use_thr_only
+ | ^
+note: 'use_both' was declared here
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F:2816:79:
- 160 | ALLOCATE (o3c%ijpair(nij))
- | ^
-note: 'o3c_pair_type.49' declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_local_rho_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_local_rho_types.F qs_local_rho_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_force_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:29:59 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_rho_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Sun May 3 07:29:59 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_force_types.F90
+ 2816 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: temp1, temp2, temp3, temp4
+ | ^
+Warning: 'temp3.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F:2816:79: Warning: 'temp3.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pair_potential.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pair_potential.F pair_potential.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_nonbond_env_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'generic_shg_integrals.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_density_matrices.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pair_potential.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'preconditioner_apply.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/preconditioner_apply.F preconditioner_apply.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'preconditioner_solvers.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_apply.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' preconditioner_apply.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'generic_os_integrals.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/matrix_exp.F:514:89:
514 | Npq%local_data(:, k) = Npq%local_data(:, k) + scaleN*Tres%local_data(:, k)
@@ -5646,42 +5833,41 @@
454 | COMPLEX(KIND=dp) :: scaleD, scaleN
| ^
note: 'REALPART_EXPR <scalen>' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ot_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ot_types.F qs_ot_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_period_efield_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_period_efield_types.F qs_period_efield_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pair_potential.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pair_potential.F pair_potential.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_period_efield_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pair_potential.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'paw_basis_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'iterate_matrix.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_cfm_diag.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_dbcsr_cholesky.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_dbcsr_cholesky.F cp_dbcsr_cholesky.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'aux_basis_set.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'generic_shg_integrals_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="\"Tue Apr 1 03:40:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_solvers.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' preconditioner_solvers.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_input.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_input.F pao_input.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_param_fock.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_param_fock.F 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 May 3 07:30:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cholesky.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_input.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_ml_neuralnet.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_ml_neuralnet.F 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 May 3 07:30:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_input.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_ml_gaussprocess.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_ml_gaussprocess.F pao_ml_gaussprocess.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_fock.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_neuralnet.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_gaussprocess.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_ml_gaussprocess.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'aux_basis_set.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_fock.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_param_fock.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'matrix_exp.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_soc_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_active_space_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_neuralnet.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_ml_neuralnet.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_green_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="\"Tue Apr 1 03:40:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_gaussprocess.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_ml_gaussprocess.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a' due to: target does not exist
+echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a"
+Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'swarm_input.mod' due to: target does not exist
+true
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a s_contract_shg.o generic_shg_integrals.o construct_shg.o generic_shg_integrals_init.o constants_operator.o
+ar: creating /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_active_space_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_block.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/pw_methods.F pw_methods.F90
/build/reproducible-path/cp2k-2024.2/src/pao_input.F:235:31:
235 | s = "GAUSSIAN_PROCESS"
@@ -5692,28 +5878,8 @@
237 | s = "NEURAL_NETWORK"
| 1
Warning: CHARACTER expression will be truncated in assignment (11/14) at (1) [-Wcharacter-truncation]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lri_optimize_ri_basis_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'soc_pseudopotential_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/soc_pseudopotential_utils.F soc_pseudopotential_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_soc_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:01 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"soc_pseudopotential_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' soc_pseudopotential_utils.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:01 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_soc_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_green_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'swarm_input.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_tas_test.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a' due to: target does not exist
-echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a"
-Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a dbt_tas_split.o dbt_tas_mm.o dbt_tas_reshape_ops.o dbt_tas_util.o dbt_tas_io.o dbt_tas_base.o dbt_tas_test.o dbt_tas_global.o dbt_tas_types.o
-ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_tas_unittest.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/tas/dbt_tas_unittest.F 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="\"Sun May 3 07:30:01 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_unittest.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/tas/' dbt_tas_unittest.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'particle_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/particle_types.F particle_types.F90
/build/reproducible-path/cp2k-2024.2/src/pair_potential.F:1003:98:
1003 | REAL(KIND=dp) :: hicut0, l_epsilon, l_sigma6, m_epsilon, &
@@ -5734,204 +5900,233 @@
1004 | m_sigma6, min_sigma6, rcovi, rcovj
| ^
note: 'min_sigma6' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/pw_methods.F pw_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'particle_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/particle_types.F particle_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' particle_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atomic_kind_list_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/atomic_kind_list_types.F atomic_kind_list_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_cholesky.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:01 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' particle_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:01 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:01 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:01 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cholesky.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_fm_cholesky.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a' due to: target does not exist
-echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a"
-Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a ao_util.o ai_operator_ra2m.o ai_kinetic.o ai_eri_debug.o ai_contraction.o ai_overlap_ppl.o basis_set_container_types.o ai_overlap3.o ai_os_rr.o soft_basis_set.o ai_coulomb.o aux_basis_set.o orbital_transformation_matrices.o basis_set_types.o ai_overlap3_debug.o ai_overlap_aabb.o sto_ng.o ai_derivatives.o ai_spin_orbit.o ai_verfc.o orbital_symbols.o ai_fermi_contact.o ai_overlap_debug.o ai_contraction_sphi.o ai_operators_r12.o ai_oneelectron.o paw_basis_types.o ai_coulomb_test.o orbital_pointers.o ai_elec_field.o ai_onecenter.o ai_moments.o ai_angmom.o ai_overlap.o
-ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_o3c_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_nonbond_env_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_diag.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_diag.F cp_fm_diag.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/fm/' cp_fm_diag.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_cdft_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_mo_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kpoint_transitional.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_matrix_pools.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_local_rho_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'scf_control_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_active_space_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_active_space_types.F qs_active_space_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dm_ls_scf_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dm_ls_scf_types.F dm_ls_scf_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ot_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_period_efield_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'exstates_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 May 3 07:30:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_active_space_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_tersoff.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/manybody_tersoff.F manybody_tersoff.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' dm_ls_scf_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_dbcsr_cholesky.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_nonbond_env_types.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_tersoff.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' manybody_tersoff.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_density_matrices.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_density_matrices.F qs_density_matrices.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_matrices.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_density_matrices.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_o3c_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_o3c_methods.F qs_o3c_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_o3c_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'generic_shg_integrals.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'preconditioner_apply.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'generic_os_integrals.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'preconditioner_solvers.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'matrix_exp.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_integrals.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/lri_integrals.F lri_integrals.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' lri_integrals.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/atom_utils.F:2222:66:
+
+ 2222 | INTEGER :: m0, m1, m2, method, nr
+ | ^
+note: 'm1' was declared here
+/build/reproducible-path/cp2k-2024.2/src/atom_utils.F:2269:10:
+
+ 2269 | IF (spinpol) THEN
+ | ^
+Warning: 'spinpol' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/atom_utils.F:2223:73:
+
+ 2223 | LOGICAL :: nlcc, spinpol
+ | ^
+note: 'spinpol' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_compression.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/lri_compression.F lri_compression.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_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="\"Tue Apr 1 03:40:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_compression.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' lri_compression.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_ml_neuralnet.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_ml_gaussprocess.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'soc_pseudopotential_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_soc_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_ls.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_ls.F input_cp2k_ls.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_tersoff.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/manybody_tersoff.F manybody_tersoff.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ls.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_ls.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_active_space_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'almo_scf_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F almo_scf_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a' due to: target does not exist
-echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a"
-Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a construct_shg.o generic_shg_integrals_init.o s_contract_shg.o generic_shg_integrals.o constants_operator.o
-ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a
-/build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:158: update target '/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'dbt_io.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_io.F dbt_io.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_tersoff.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' manybody_tersoff.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_split.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_split.F dbt_split.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' dbt_io.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_reshape_ops.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_split.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' dbt_split.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'particle_types.mod' due to: target does not exist
true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' dbt_reshape_ops.F90
/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' almo_scf_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_fm_cholesky.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_environment_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/lri_environment_types.F lri_environment_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'multipole_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/multipole_types.F multipole_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a' due to: target does not exist
+echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a"
+Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a cp_fm_elpa.o cp_cfm_diag.o cp_fm_struct.o cp_blacs_env.o cp_fm_pool_types.o cp_fm_diag.o cp_fm_basic_linalg.o cp_fm_diag_utils.o cp_fm_cusolver_api.o cp_fm_types.o cp_fm_dlaf_api.o cp_cfm_types.o cp_cfm_basic_linalg.o cp_fm_cholesky.o cp_linked_list_fm.o cp_blacs_types.o cp_dlaf_utils_api.o cp_fm_cusolver.o
+ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_control_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' lri_environment_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_matrix_pools.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_matrix_pools.F qs_matrix_pools.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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 May 3 07:30:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_pools.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_matrix_pools.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_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="\"Tue Apr 1 03:40:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/multipole_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' multipole_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_control_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kpoint_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/kpoint_types.F kpoint_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_loc_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_loc_types.F qs_loc_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'exstates_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/exstates_types.F exstates_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_loc_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exstates_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' exstates_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_active_space_types.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dm_ls_scf_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'scf_control_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/scf_control_types.F scf_control_types.F90
-/build/reproducible-path/cp2k-2024.2/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]
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rmsd.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kpoint_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_fm_diag.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:03 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scf_control_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_loc_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rmsd.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rmsd.F rmsd.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_neighbor_lists.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rmsd.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rmsd.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_symmetry.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:03 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rmsd.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:03 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_symmetry.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:03 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_neighbor_lists.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_eam.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:03 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_eam.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' manybody_eam.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_neighbor_lists.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_dbcsr_diag.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_dbcsr_diag.F cp_dbcsr_diag.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_symmetry.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_symmetry.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'preconditioner_makes.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/preconditioner_makes.F preconditioner_makes.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_diag.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_dbcsr_diag.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lri_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="\"Tue Apr 1 03:40:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_makes.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' preconditioner_makes.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lri_compression.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_condnum.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_condnum.F qs_condnum.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_condnum.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_condnum.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_optimizer.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F pao_optimizer.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_scf_methods.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_optimizer.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_optimizer.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_ls.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_siepmann.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/manybody_siepmann.F manybody_siepmann.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_tersoff.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_deepmd.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_siepmann.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' manybody_siepmann.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_gal21.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/manybody_gal21.F manybody_gal21.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_nequip.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/manybody_nequip.F manybody_nequip.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_quip.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/manybody_quip.F manybody_quip.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_deepmd.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' manybody_deepmd.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_nequip.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_quip.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' manybody_quip.F90
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F:2941:16:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal21.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' manybody_gal21.F90
+/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:197:13:
- 2941 | IF (use_ranges_only) THEN
- | ^
-Warning: 'use_ranges_only' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F:2813:85:
+ 197 | IF (beta < 0.0_dp) THEN
+ | ^
+Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:174:64:
- 2813 | LOGICAL :: use_both, use_ranges_only, use_thr_only
- | ^
-note: 'use_ranges_only' was declared here
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F:2957:21:
+ 174 | REAL(KIND=dp) :: beta, change, trace_D, trace_D_Gnew, &
+ | ^
+note: 'beta' declared here
+/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:197:13:
- 2957 | ELSE IF (use_thr_only) THEN
- | ^
-Warning: 'use_thr_only' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F:2813:99:
+ 197 | IF (beta < 0.0_dp) THEN
+ | ^
+Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:174:64:
- 2813 | LOGICAL :: use_both, use_ranges_only, use_thr_only
- | ^
-note: 'use_thr_only' was declared here
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F:2928:13:
+ 174 | REAL(KIND=dp) :: beta, change, trace_D, trace_D_Gnew, &
+ | ^
+note: 'beta' declared here
+/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:197:13:
- 2928 | IF (use_both) THEN
+ 197 | IF (beta < 0.0_dp) THEN
| ^
-Warning: 'use_both' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F:2813:68:
+Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:174:64:
- 2813 | LOGICAL :: use_both, use_ranges_only, use_thr_only
- | ^
-note: 'use_both' was declared here
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F:2816:79:
+ 174 | REAL(KIND=dp) :: beta, change, trace_D, trace_D_Gnew, &
+ | ^
+note: 'beta' declared here
+/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:197:13:
- 2816 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: temp1, temp2, temp3, temp4
- | ^
-Warning: 'temp3.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_methods.F:2816:79: Warning: 'temp3.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
+ 197 | IF (beta < 0.0_dp) THEN
+ | ^
+Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:174:64:
+
+ 174 | REAL(KIND=dp) :: beta, change, trace_D, trace_D_Gnew, &
+ | ^
+note: 'beta' declared here
+/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:197:13:
+
+ 197 | IF (beta < 0.0_dp) THEN
+ | ^
+Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:174:64:
+
+ 174 | REAL(KIND=dp) :: beta, change, trace_D, trace_D_Gnew, &
+ | ^
+note: 'beta' declared here
+/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:197:13:
+
+ 197 | IF (beta < 0.0_dp) THEN
+ | ^
+Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:174:64:
+
+ 174 | REAL(KIND=dp) :: beta, change, trace_D, trace_D_Gnew, &
+ | ^
+note: 'beta' declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_quip.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/manybody_quip.F manybody_quip.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_nequip.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_quip.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' manybody_quip.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_gal.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/manybody_gal.F manybody_gal.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_siepmann.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' manybody_gal.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_deepmd.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_deepmd.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' manybody_deepmd.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_allegro.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/manybody_allegro.F manybody_allegro.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_siepmann.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' manybody_siepmann.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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="\"Sun May 3 07:30:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_allegro.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' manybody_allegro.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_gal21.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/manybody_gal21.F manybody_gal21.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'preconditioner_solvers.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/preconditioner_solvers.F preconditioner_solvers.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'preconditioner_apply.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/preconditioner_apply.F preconditioner_apply.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal21.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_solvers.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_apply.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' preconditioner_apply.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_eam.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_allegro.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' manybody_allegro.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_localization_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_eam.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' manybody_eam.F90
/build/reproducible-path/cp2k-2024.2/src/manybody_nequip.F:275:85:
275 | CALL torch_model_load(nequip_data%model, pot%set(1)%nequip%nequip_file_name)
@@ -5952,12 +6147,40 @@
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-2024.2/Makefile:560: update target 'qs_density_matrices.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="\"Tue Apr 1 03:40:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_localization_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_localization_methods.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/manybody_deepmd.F:74:63:
+
+ 74 | TYPE(pair_potential_single_type), POINTER :: pot
+ | ^
+note: 'pot' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dm_ls_scf_curvy.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dm_ls_scf_curvy.F dm_ls_scf_curvy.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'almo_scf_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_o3c_methods.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_io.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_ls.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_ls.F 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="\"Tue Apr 1 03:40:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_curvy.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' dm_ls_scf_curvy.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_reshape_ops.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'particle_list_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/particle_list_types.F particle_list_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'colvar_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_list_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' particle_list_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'multipole_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="\"Tue Apr 1 03:40:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/colvar_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' colvar_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_force_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_control_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_sgp.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_sgp.F atom_sgp.F90
/build/reproducible-path/cp2k-2024.2/src/manybody_allegro.F:294:88:
294 | CALL torch_model_load(allegro_data%model, pot%set(1)%allegro%allegro_file_name)
@@ -5978,33 +6201,12 @@
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-2024.2/Makefile:560: update target 'pao_param_fock.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xtb_parameters.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xtb_parameters.F xtb_parameters.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_sgp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_sgp.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kpoint_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_optimizer.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F pao_optimizer.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ls.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_ls.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dm_ls_scf_curvy.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dm_ls_scf_curvy.F dm_ls_scf_curvy.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/atom_utils.F:2222:66:
-
- 2222 | INTEGER :: m0, m1, m2, method, nr
- | ^
-note: 'm1' was declared here
-/build/reproducible-path/cp2k-2024.2/src/atom_utils.F:2269:10:
-
- 2269 | IF (spinpol) THEN
- | ^
-Warning: 'spinpol' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/atom_utils.F:2223:73:
-
- 2223 | LOGICAL :: nlcc, spinpol
- | ^
-note: 'spinpol' 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="\"Tue Apr 1 03:40:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_parameters.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xtb_parameters.F90
/build/reproducible-path/cp2k-2024.2/src/manybody_gal.F:169:126:
169 | - gal%bxy*drji2*sinalpha*sinalpha))
@@ -6035,97 +6237,13 @@
75 | VTT, weight
| ^
note: 'weight' 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 May 3 07:30:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_optimizer.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_optimizer.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_active_space_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_curvy.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' dm_ls_scf_curvy.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_types.mod' due to: target does not exist
-true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_active_space_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'colvar_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/colvar_types.F colvar_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'multipole_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/colvar_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' colvar_types.F90
-/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:197:13:
-
- 197 | IF (beta < 0.0_dp) THEN
- | ^
-Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:174:64:
-
- 174 | REAL(KIND=dp) :: beta, change, trace_D, trace_D_Gnew, &
- | ^
-note: 'beta' declared here
-/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:197:13:
-
- 197 | IF (beta < 0.0_dp) THEN
- | ^
-Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:174:64:
-
- 174 | REAL(KIND=dp) :: beta, change, trace_D, trace_D_Gnew, &
- | ^
-note: 'beta' declared here
-/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:197:13:
-
- 197 | IF (beta < 0.0_dp) THEN
- | ^
-Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:174:64:
-
- 174 | REAL(KIND=dp) :: beta, change, trace_D, trace_D_Gnew, &
- | ^
-note: 'beta' declared here
-/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:197:13:
-
- 197 | IF (beta < 0.0_dp) THEN
- | ^
-Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:174:64:
-
- 174 | REAL(KIND=dp) :: beta, change, trace_D, trace_D_Gnew, &
- | ^
-note: 'beta' declared here
-/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:197:13:
-
- 197 | IF (beta < 0.0_dp) THEN
- | ^
-Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:174:64:
-
- 174 | REAL(KIND=dp) :: beta, change, trace_D, trace_D_Gnew, &
- | ^
-note: 'beta' declared here
-/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:197:13:
-
- 197 | IF (beta < 0.0_dp) THEN
- | ^
-Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/pao_optimizer.F:174:64:
-
- 174 | REAL(KIND=dp) :: beta, change, trace_D, trace_D_Gnew, &
- | ^
-note: 'beta' 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 May 3 07:30:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/multipole_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' multipole_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'particle_list_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/particle_list_types.F particle_list_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_fm_diag.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fm/cp_fm_diag.F cp_fm_diag.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lri_environment_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_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 May 3 07:30:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_list_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' particle_list_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_matrix_pools.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_loc_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'exstates_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_force_types.mod' due to: target does not exist
-true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'admm_dm_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/admm_dm_types.F admm_dm_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_propagation_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rt_propagation_types.F 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="\"Tue Apr 1 03:40:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' admm_dm_types.F90
/build/reproducible-path/cp2k-2024.2/src/subsys/colvar_types.F:1021:34:
1021 | np = n_oxygens + n_hydrogens
@@ -6178,16 +6296,13 @@
| ^
Warning: 'i_oxygens.offset' may be used uninitialized [-Wmaybe-uninitialized]
/build/reproducible-path/cp2k-2024.2/src/subsys/colvar_types.F:1004:82: Warning: 'i_oxygens.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_propagation_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rt_propagation_types.F rt_propagation_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'scf_control_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'admm_dm_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/admm_dm_types.F admm_dm_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rmsd.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_neighbor_lists.mod' due to: target does not exist
-true
+/build/reproducible-path/cp2k-2024.2/src/xtb_parameters.F:205:21:
+
+ 205 | enam = aname
+ | 1
+Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation]
/build/reproducible-path/cp2k-2024.2/src/subsys/colvar_types.F:1096:57:
1096 | np = n_oxygens_water + n_oxygens_acid + n_hydrogens
@@ -6214,7 +6329,6 @@
| ^
Warning: 'i_hydrogens.offset' may be used uninitialized [-Wmaybe-uninitialized]
/build/reproducible-path/cp2k-2024.2/src/subsys/colvar_types.F:1074:71: Warning: 'i_hydrogens.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="\"Sun May 3 07:30:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rt_propagation_types.F90
/build/reproducible-path/cp2k-2024.2/src/subsys/colvar_types.F:1116:13:
1116 | IF (ANY(i_hydrogens == i)) &
@@ -6267,53 +6381,39 @@
| ^
Warning: 'i_oxygens_water.offset' may be used uninitialized [-Wmaybe-uninitialized]
/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rt_propagation_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_neighbor_lists.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_symmetry.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_eam.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dispersion_d4.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dispersion_d4.F qs_dispersion_d4.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_dbcsr_diag.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_deepmd.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="\"Tue Apr 1 03:40:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_d4.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dispersion_d4.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'preconditioner_makes.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_nequip.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 's_square_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/s_square_methods.F s_square_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_condnum.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_quip.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="\"Tue Apr 1 03:40:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"s_square_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' s_square_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_gal.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_optimizer.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_siepmann.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_allegro.mod' due to: target does not exist
-true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' admm_dm_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_gal21.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'preconditioner_solvers.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'preconditioner_apply.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 's_square_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/s_square_methods.F s_square_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_integrals.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/lri_integrals.F lri_integrals.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_compression.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/lri_compression.F lri_compression.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dispersion_d4.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"s_square_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_compression.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Sun May 3 07:30:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_d4.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dispersion_d4.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'maxwell_solver_interface.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/maxwell_solver_interface.F maxwell_solver_interface.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_ls.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_nequip.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_optimizer.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_quip.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dm_ls_scf_curvy.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_gal.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_active_space_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_deepmd.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_block.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_block.F dbt_block.F90
/build/reproducible-path/cp2k-2024.2/src/subsys/colvar_types.F:976:38:
976 | colvar%i_atom(i) = list(i)
@@ -6324,150 +6424,35 @@
505 | INTEGER, DIMENSION(:), POINTER :: list
| ^
note: 'list.data' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'multipole_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_eam.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'maxwell_solver_interface.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/maxwell_solver_interface.F maxwell_solver_interface.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dm_ls_scf_curvy.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ct_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ct_methods.F ct_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gw_kp_to_real_space_and_back.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/gw_kp_to_real_space_and_back.F gw_kp_to_real_space_and_back.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_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 May 3 07:30:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"maxwell_solver_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"maxwell_solver_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ct_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'particle_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 May 3 07:30:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_block.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' 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="\"Tue Apr 1 03:40:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_kp_to_real_space_and_back.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' gw_kp_to_real_space_and_back.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'paw_proj_set_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/paw_proj_set_types.F paw_proj_set_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xtb_parameters.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xtb_parameters.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xtb_parameters.F xtb_parameters.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"paw_proj_set_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' paw_proj_set_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kpoint_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/kpoint_types.F kpoint_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'admm_dm_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mixed_environment_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mixed_environment_utils.F 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="\"Sun May 3 07:30:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_parameters.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kpoint_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mixed_environment_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_restarts_util.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_restarts_util.F input_cp2k_restarts_util.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_potential.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_restarts_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_restarts_util.F90
-/build/reproducible-path/cp2k-2024.2/src/xtb_parameters.F:205:21:
-
- 205 | enam = aname
- | 1
-Warning: CHARACTER expression will be truncated in assignment (2/80) 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 May 3 07:30:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_potential.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' manybody_potential.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_realspace_grid_cube.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_realspace_grid_cube.F cp_realspace_grid_cube.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 's_square_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lri_compression.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dispersion_d4.mod' due to: target does not exist
-true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_realspace_grid_cube.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'maxwell_solver_interface.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a' due to: target does not exist
-echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a"
-Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a cp_linked_list_fm.o cp_fm_struct.o cp_cfm_types.o cp_blacs_types.o cp_fm_dlaf_api.o cp_fm_basic_linalg.o cp_fm_types.o cp_cfm_basic_linalg.o cp_fm_elpa.o cp_dlaf_utils_api.o cp_blacs_env.o cp_cfm_diag.o cp_fm_pool_types.o cp_fm_cusolver_api.o cp_fm_diag.o cp_fm_diag_utils.o cp_fm_cholesky.o cp_fm_cusolver.o
-ar: /build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_sgp.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_sgp.F atom_sgp.F90
-creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xtb_parameters.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_propagation_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_fm_diag.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mixed_environment_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_restarts_util.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'preconditioner_makes.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/preconditioner_makes.F preconditioner_makes.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:07 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_sgp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_sgp.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_dbcsr_diag.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_dbcsr_diag.F cp_dbcsr_diag.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lri_integrals.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_condnum.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_condnum.F qs_condnum.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:07 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_makes.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:07 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_diag.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_dbcsr_diag.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:07 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_condnum.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_condnum.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:07 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_scf_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_localization_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_localization_methods.F qs_localization_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_make_propagators.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:07 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_make_propagators.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/emd/' rt_make_propagators.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_block.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'colvar_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kpoint_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_types.F topology_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:07 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_localization_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Sun May 3 07:30:07 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_realspace_grid_cube.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_dbcsr_diag.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gw_kp_to_real_space_and_back.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/gw_kp_to_real_space_and_back.F gw_kp_to_real_space_and_back.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'almo_scf_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ct_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_kp_to_real_space_and_back.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' gw_kp_to_real_space_and_back.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_split.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_split.F dbt_split.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ct_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_reshape_ops.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_reshape_ops.F dbt_reshape_ops.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_io.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_io.F dbt_io.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_split.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' dbt_reshape_ops.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molecule_kind_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/molecule_kind_types.F molecule_kind_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_colvar.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_colvar.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_colvar.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'preconditioner_makes.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_condnum.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gw_kp_to_real_space_and_back.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_make_propagators.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'paw_proj_set_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_binary_restarts.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_binary_restarts.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_binary_restarts.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atoms_input.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atoms_input.F atoms_input.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_multiple_unit_cell.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_multiple_unit_cell.F topology_multiple_unit_cell.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:09 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atoms_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atoms_input.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_gromos.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_gromos.F 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 May 3 07:30:09 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_multiple_unit_cell.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_multiple_unit_cell.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:09 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_gromos.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"paw_proj_set_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mixed_environment_utils.F90
/build/reproducible-path/cp2k-2024.2/src/qs_localization_methods.F:2695:68:
2695 | CALL dcopy(nstate*n1, gmat(1, 1), 1, rotmat(1, 1), 1)
@@ -6498,24 +6483,52 @@
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-2024.2/Makefile:513: update target 'topology_pdb.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_pdb.F topology_pdb.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_input.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_input.F 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 May 3 07:30:09 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_pdb.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_cp2k.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_cp2k.F 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="\"Sun May 3 07:30:09 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_input.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dispersion_d4.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_restarts_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_restarts_util.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_realspace_grid_cube.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_realspace_grid_cube.F cp_realspace_grid_cube.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 's_square_methods.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:40:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_realspace_grid_cube.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_allegro.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'maxwell_solver_interface.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gw_kp_to_real_space_and_back.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_methods.F dbt_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_propagation_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mixed_environment_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_restarts_util.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'manybody_potential.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' dbt_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_make_propagators.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_potential.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:40:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_make_propagators.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/emd/' rt_make_propagators.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_realspace_grid_cube.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'colvar_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molecule_kind_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/molecule_kind_types.F molecule_kind_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_colvar.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_colvar.F input_cp2k_colvar.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_types.F topology_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_colvar.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_colvar.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_make_propagators.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/atom_sgp.F:561:13:
561 | IF (nl_trans) THEN
@@ -6526,61 +6539,46 @@
462 | LOGICAL :: nl_trans
| ^
note: 'nl_trans' 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 May 3 07:30:09 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cp2k.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_cp2k.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_pdb.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_pdb.F topology_pdb.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_binary_restarts.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_binary_restarts.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_binary_restarts.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atoms_input.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atoms_input.F atoms_input.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_multiple_unit_cell.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_multiple_unit_cell.F topology_multiple_unit_cell.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atoms_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atoms_input.F90
/build/reproducible-path/cp2k-2024.2/src/topology_pdb.F:317:63:
317 | my_local=.FALSE.)
| 1
Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation]
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_multiple_unit_cell.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_multiple_unit_cell.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_xyz.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:09 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xyz.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_xyz.F90
-/build/reproducible-path/cp2k-2024.2/src/topology_gromos.F:280:21:
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_cp2k.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_cp2k.F 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="\"Tue Apr 1 03:41:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xyz.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_xyz.F90
+/build/reproducible-path/cp2k-2024.2/src/atoms_input.F:441:84:
- 280 | nsolute = natom
- | ^
-Warning: 'natom' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/topology_gromos.F:66:32:
+ 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-2024.2/src/atoms_input.F:287:97:
- 66 | itype, iw, jatom, natom, natom_prev, nbond, nbond_prev, ncon, nsolute, nsolvent, ntype, &
- | ^
-note: 'natom' declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ct_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_reshape_ops.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_io.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'molecule_kind_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_colvar.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atoms_input.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_multiple_unit_cell.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_pdb.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molecule_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/molecule_types.F molecule_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molecule_kind_list_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/molecule_kind_list_types.F molecule_kind_list_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' molecule_kind_list_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' molecule_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_cp2k.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_xyz.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_binary_restarts.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'molecule_kind_list_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_input.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_gromos.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'molecule_types.mod' due to: target does not exist
-true
+ 287 | REAL(KIND=dp) :: dab, mass_com, rab(3), unit_conv_core, &
+ | ^
+note: 'unit_conv_core' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_input.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_input.F 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="\"Tue Apr 1 03:41:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cp2k.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_cp2k.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_gromos.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_gromos.F 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="\"Tue Apr 1 03:41:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_input.F90
/build/reproducible-path/cp2k-2024.2/src/atom_sgp.F:246:10:
246 | IF (do_transform) THEN
@@ -6621,23 +6619,27 @@
210 | TYPE(atom_ecppot_type), POINTER :: ecp_pot
| ^
note: 'ecp_pot' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molecule_list_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/molecule_list_types.F molecule_list_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_connectivity_util.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_connectivity_util.F topology_connectivity_util.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_intra_force.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_intra_force.F fist_intra_force.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_loc_molecules.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_loc_molecules.F qs_loc_molecules.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'thermostat_mapping.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermostat/thermostat_mapping.F thermostat_mapping.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_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="\"Tue Apr 1 03:41:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_gromos.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_gromos.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'molecule_kind_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'paw_proj_set_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_colvar.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_pdb.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atoms_input.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_multiple_unit_cell.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_xyz.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_list_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_connectivity_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_molecules.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_intra_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_mapping.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' thermostat_mapping.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_cp2k.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molecule_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/molecule_types.F molecule_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molecule_kind_list_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/molecule_kind_list_types.F molecule_kind_list_types.F90
/build/reproducible-path/cp2k-2024.2/src/atom_sgp.F:175:25:
175 | error(3) = errcc
@@ -6648,11 +6650,48 @@
89 | REAL(KIND=dp) :: errcc, rcut
| ^
note: 'errcc' 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="\"Tue Apr 1 03:41:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' molecule_kind_list_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_binary_restarts.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'molecule_kind_list_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_sgp.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/src/topology_gromos.F:280:21:
+
+ 280 | nsolute = natom
+ | ^
+Warning: 'natom' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'molecule_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molecule_list_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/subsys/molecule_list_types.F molecule_list_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_connectivity_util.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_connectivity_util.F topology_connectivity_util.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_intra_force.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_intra_force.F 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="\"Tue Apr 1 03:41:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_list_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' molecule_list_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_loc_molecules.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_loc_molecules.F 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="\"Tue Apr 1 03:41:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_connectivity_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_intra_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_intra_force.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'thermostat_mapping.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermostat/thermostat_mapping.F thermostat_mapping.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_input.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_molecules.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_mapping.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' thermostat_mapping.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'molecule_list_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_subsys_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cp_subsys_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cp_subsys_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/subsys/' cp_subsys_types.F90
/build/reproducible-path/cp2k-2024.2/src/qs_loc_molecules.F:170:60:
170 | i = molecule_set(imol_now)%lmi(ispin)%nstates
@@ -6663,19 +6702,16 @@
51 | INTEGER :: counter, first_atom, i, iatom, ikind, imol, imol_now, istate, k, local_location, &
| ^
note: 'imol_now' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_split.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' dbt_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_loc_molecules.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_gromos.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/fist_intra_force.F:119:64:
119 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: pv_a
| ^
Warning: 'pv_a.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_sgp.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_loc_molecules.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'manybody_potential.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/thermostat_mapping.F:980:66:
@@ -6714,26 +6750,25 @@
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_subsys_types.mod' due to: target does not exist
true
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a cp_subsys_types.o external_potential_types.o molecule_list_types.o force_field_kind_types.o atprop_types.o damping_dipole_types.o atomic_kind_types.o shell_potential_types.o cell_types.o molecule_kind_types.o atomic_kind_list_types.o multipole_types.o virial_types.o colvar_types.o molecule_types.o molecule_kind_list_types.o particle_types.o particle_list_types.o
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a damping_dipole_types.o particle_types.o particle_list_types.o virial_types.o cp_subsys_types.o force_field_kind_types.o colvar_types.o multipole_types.o external_potential_types.o atomic_kind_types.o atomic_kind_list_types.o molecule_list_types.o cell_types.o shell_potential_types.o molecule_kind_types.o molecule_kind_list_types.o molecule_types.o atprop_types.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dimer_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/dimer_types.F dimer_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'embed_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/embed_types.F embed_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ipi_environment_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ipi_environment_types.F ipi_environment_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'eip_environment_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/eip_environment_types.F eip_environment_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'nnp_environment_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/nnp_environment_types.F nnp_environment_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ipi_environment_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ipi_environment_types.F 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="\"Tue Apr 1 03:41:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' embed_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'virial_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/virial_methods.F 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 May 3 07:30:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"virial_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' nnp_environment_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fp_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fp_methods.F 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="\"Tue Apr 1 03:41:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"virial_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' virial_methods.F90
/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/thermostat_mapping.F:502:22:
502 | const_mol = 0
@@ -6744,45 +6779,48 @@
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-2024.2/Makefile:513: update target 'fp_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fp_methods.F fp_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'thermostat_mapping.mod' due to: target does not exist
-true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fp_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dimer_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/dimer_types.F dimer_types.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:513: update target 'negf_control_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/negf_control_types.F negf_control_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'eip_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="\"Sun May 3 07:30:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fp_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ipi_environment_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'eip_silicon.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/eip_silicon.F eip_silicon.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'extended_system_mapping.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermostat/extended_system_mapping.F extended_system_mapping.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'csvr_system_mapping.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_control_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_control_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_silicon.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' eip_silicon.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'al_system_mapping.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermostat/al_system_mapping.F 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 May 3 07:30:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' csvr_system_mapping.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dimer_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'eip_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="\"Sun May 3 07:30:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' al_system_mapping.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'embed_types.mod' due to: target does not exist
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' dimer_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'thermostat_mapping.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'virial_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="\"Tue Apr 1 03:41:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_control_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_control_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dimer_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/dimer_utils.F dimer_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'eip_silicon.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/eip_silicon.F eip_silicon.F90
/build/reproducible-path/cp2k-2024.2/src/fp_methods.F:181:53:
181 | fp_env%bias_weight = EXP(fp_env%bias_energy/kT)
@@ -6793,43 +6831,57 @@
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="\"Sun May 3 07:30:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' dimer_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'extended_system_mapping.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermostat/extended_system_mapping.F extended_system_mapping.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_silicon.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' eip_silicon.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'csvr_system_mapping.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' extended_system_mapping.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'al_system_mapping.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermostat/al_system_mapping.F 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="\"Tue Apr 1 03:41:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' csvr_system_mapping.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'realspace_grid_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' realspace_grid_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fp_methods.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'embed_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'al_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="\"Tue Apr 1 03:41:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' al_system_mapping.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'virial_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'al_system_init.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermostat/al_system_init.F al_system_init.F90
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' realspace_grid_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fp_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dimer_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_localization_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dimer_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'csvr_system_init.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermostat/csvr_system_init.F csvr_system_init.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'nnp_environment_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'nnp_acsf.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/nnp_acsf.F 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 May 3 07:30:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' al_system_init.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dimer_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/dimer_utils.F dimer_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'nnp_model.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/nnp_model.F 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 May 3 07:30:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_acsf.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_model.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' dimer_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'nnp_acsf.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/nnp_acsf.F 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="\"Tue Apr 1 03:41:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_model.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_acsf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' nnp_acsf.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'helium_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/helium_types.F helium_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'csvr_system_init.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'al_system_init.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'csvr_system_mapping.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' helium_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'al_system_mapping.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' helium_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'csvr_system_init.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermostat/csvr_system_init.F csvr_system_init.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'al_system_init.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' csvr_system_init.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'extended_system_mapping.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dimer_utils.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' al_system_init.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_control_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'negf_subgroup_types.o' due to: target does not exist
@@ -6839,65 +6891,54 @@
391 | SUBROUTINE helium_destroy_real_arr_ptr(real_arr_p)
| ^
Warning: 'helium_destroy_real_arr_ptr' defined but not used [-Wunused-function]
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_methods.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'helium_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 May 3 07:30:14 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_subgroup_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_subgroup_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_test.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_subgroup_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_subgroup_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'csvr_system_init.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_test.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' dbt_test.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_connectivity_util.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'al_system_init.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'nnp_model.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_subgroup_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_localization_methods.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'eip_silicon.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'nnp_acsf.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'nnp_force.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' nnp_force.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'realspace_grid_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'grid_api.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/grid/grid_api.F grid_api.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_linked_list_pw.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/cp_linked_list_pw.F cp_linked_list_pw.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dgs.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/dgs.F 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 May 3 07:30:16 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' nnp_force.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cube_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/cube_utils.F cube_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dgs.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/dgs.F dgs.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_rsgrid.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_rsgrid.F 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 May 3 07:30:16 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grid/grid_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/grid/' grid_api.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_realspace_grid_init.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_realspace_grid_init.F 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 May 3 07:30:16 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cp_linked_list_pw.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:16 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dgs.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' dgs.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pme_tools.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:16 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cube_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:16 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_rsgrid.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:16 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:16 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme_tools.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grid/grid_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cube_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cp_linked_list_pw.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dgs.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_rsgrid.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme_tools.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pme_tools.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_realspace_grid_init.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_rsgrid.mod' due to: target does not exist
@@ -6908,32 +6949,27 @@
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mm_collocate_potential.F mm_collocate_potential.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pme_tools.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:17 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_collocate_potential.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_collocate_potential.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mm_collocate_potential.F90
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a"
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'grid_api.mod' due to: target does not exist
+true
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a
ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a grid_api.o grid_task_list.o grid_replay.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'grid_api.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'task_list_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:17 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' task_list_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_test.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_test.F dbt_test.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_linked_list_pw.mod' due to: target does not exist
true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' task_list_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_pool_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:17 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_test.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' dbt_test.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:17 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_pool_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_pool_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' pw_pool_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'task_list_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kg_environment_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:17 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kg_environment_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kg_environment_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'nnp_force.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mm_collocate_potential.mod' due to: target does not exist
@@ -6942,56 +6978,52 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kg_vertex_coloring_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/kg_vertex_coloring_methods.F kg_vertex_coloring_methods.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_vertex_coloring_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kg_vertex_coloring_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_test.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_unittest.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_unittest.F dbt_unittest.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_api.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_api.F dbt_api.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_pool_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dirichlet_bc_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_vertex_coloring_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kg_vertex_coloring_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dielectric_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/dielectric_types.F dielectric_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mt_util.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/mt_util.F mt_util.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rs_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' dirichlet_bc_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dirichlet_bc_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/dirichlet_bc_types.F dirichlet_bc_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_spline_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/pw_spline_utils.F pw_spline_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dgs.mod' due to: target does not exist
-true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rs_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/rs_methods.F rs_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_rho_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_rho_types.F 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 May 3 07:30:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/mt_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_unittest.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' dbt_api.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/mt_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/rs_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_spline_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' pw_spline_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_derivative_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_rho_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dispersion_nonloc.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/rs_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_derivative_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_nmr_epr_common_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_spline_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_epr_common_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_nonloc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dispersion_nonloc.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.a' due to: target does not exist
+echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.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="\"Tue Apr 1 03:41:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_nonloc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dispersion_nonloc.F90
+Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.a
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dirichlet_bc_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dielectric_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ps_implicit_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/ps_implicit_types.F ps_implicit_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_derivative_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_linked_list_xc_deriv.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/cp_linked_list_xc_deriv.F cp_linked_list_xc_deriv.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' ps_implicit_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_nmr_epr_common_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 May 3 07:30:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/cp_linked_list_xc_deriv.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' cp_linked_list_xc_deriv.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_rho_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_wf_history_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_wf_history_types.F qs_wf_history_types.F90
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.a dbt_io.o dbt_split.o dbt_index.o dbt_types.o dbt_array_list_methods.o dbt_api.o dbt_reshape_ops.o dbt_test.o dbt_block.o dbt_methods.o dbt_allocate_wrap.o
+ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.a
/build/reproducible-path/cp2k-2024.2/src/kg_vertex_coloring_methods.F:120:36:
120 | nneighbors = nneighbors + 1
@@ -7002,38 +7034,68 @@
77 | maxdegree, nneighbors, nnodes
| ^
note: 'nneighbors' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mt_util.mod' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/src/kg_vertex_coloring_methods.F:201:13:
201 | IF (newcolor .GT. ncolors) ncolors = newcolor
| ^
Warning: 'newcolor' may be used uninitialized [-Wmaybe-uninitialized]
-true
/build/reproducible-path/cp2k-2024.2/src/kg_vertex_coloring_methods.F:174:89:
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 May 3 07:30:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_wf_history_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dielectric_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_api.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ps_implicit_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_epr_common_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_nmr_epr_common_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tensors_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tensors_types.F 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="\"Tue Apr 1 03:41:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' ps_implicit_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_derivative_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_tdp_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xas_tdp_types.F xas_tdp_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mt_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="\"Tue Apr 1 03:41:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_tdp_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_rho_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_linked_list_xc_deriv.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/cp_linked_list_xc_deriv.F cp_linked_list_xc_deriv.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_wf_history_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_wf_history_types.F qs_wf_history_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kg_vertex_coloring_methods.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/cp_linked_list_xc_deriv.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' cp_linked_list_xc_deriv.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_nmr_epr_common_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="\"Tue Apr 1 03:41:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_wf_history_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ps_implicit_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_poisson_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' pw_poisson_types.F90
/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'ps_implicit_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_poisson_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/pw_poisson_types.F pw_poisson_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_linked_list_xc_deriv.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_wf_history_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 May 3 07:30:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' pw_poisson_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_derivative_set_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_derivative_set_types.F xc_derivative_set_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kg_vertex_coloring_methods.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_wf_history_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 May 3 07:30:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_set_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_set_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_derivative_set_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rs_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dielectric_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' dielectric_methods.F90
/build/reproducible-path/cp2k-2024.2/src/qs_dispersion_nonloc.F:842:68:
842 | h_prefactor(i_grid) = h_prefactor(i_grid) + prefactor
@@ -7044,10 +7106,6 @@
751 | dq_6, e, f, P, prefactor, tmp_1_2, &
| ^
note: 'prefactor' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rs_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dielectric_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/dielectric_methods.F dielectric_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_derivative_set_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/qs_dispersion_nonloc.F:589:61:
@@ -7055,7 +7113,46 @@
589 | REAL(KIND=dp) :: g, g2, g2_last, g_multiplier, gm
| ^
Warning: 'g' 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 May 3 07:30:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' dielectric_methods.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:166: update target '/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'qs_tensors_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'post_scf_bandstructure_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/post_scf_bandstructure_types.F post_scf_bandstructure_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_gw_ic.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rpa_gw_ic.F rpa_gw_ic.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_poisson_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dg_rho0_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/dg_rho0_types.F dg_rho0_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dirichlet_bc_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' post_scf_bandstructure_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_ic.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_gw_ic.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ps_wavelet_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/ps_wavelet_methods.F ps_wavelet_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_poisson_read_input.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw_poisson_read_input.F pw_poisson_read_input.F90
/build/reproducible-path/cp2k-2024.2/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)
@@ -7076,69 +7173,57 @@
1149 | q_min, r_s, sqrt_r_s, Z_ab
| ^
note: 'z_ab' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_poisson_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dg_rho0_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/dg_rho0_types.F dg_rho0_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dirichlet_bc_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/dirichlet_bc_methods.F dirichlet_bc_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ps_wavelet_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/ps_wavelet_methods.F ps_wavelet_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_poisson_read_input.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_rho0_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_rho0_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' dg_rho0_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_env_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_poisson_read_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pw_poisson_read_input.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pair_potential_coulomb.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_poisson_read_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/pw_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_coulomb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pair_potential_coulomb.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/pw_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw_env/' pw_env_types.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_coulomb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pair_potential_coulomb.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dg_rho0_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dg_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/dg_types.F 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="\"Sun May 3 07:30:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' dg_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dispersion_nonloc.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="\"Tue Apr 1 03:41:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' dg_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dg_types.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/semi_empirical_types.F semi_empirical_types.F90
/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dispersion_nonloc.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_env_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ks_qmmm_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ks_qmmm_types.F qs_ks_qmmm_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_gaussian_init.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_gaussian_init.F qmmm_gaussian_init.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dg_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="\"Tue Apr 1 03:41:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ks_qmmm_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_gw_ic.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/semi_empirical_types.F semi_empirical_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_gaussian_init.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_types.F90
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_gaussian_init.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ps_wavelet_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'pw_poisson_read_input.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ks_qmmm_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_gaussian_init.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ps_wavelet_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_test.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dielectric_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_unittest.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dbt/dbt_unittest.F dbt_unittest.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dbt_api.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_unittest.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_api.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/dbt/' dbt_api.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_par_utils.o' due to: target does not exist
@@ -7147,11 +7232,9 @@
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/semi_empirical_int3_utils.F semi_empirical_int3_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_int_gks.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_par_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int3_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_gks.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_int_gks.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dielectric_methods.mod' due to: target does not exist
-true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_par_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int3_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_gks.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_int_gks.F90
/build/reproducible-path/cp2k-2024.2/src/semi_empirical_int3_utils.F:118:32:
118 | add = (pij + pkl)**2
@@ -7172,19 +7255,8 @@
80 | REAL(KIND=dp) :: add, ccc, chrg, pij, pkl, sum
| ^
note: 'pkl' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.a' due to: target does not exist
-echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.a"
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dbt_api.mod' due to: target does not exist
-true
-Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.a dbt_index.o dbt_api.o dbt_block.o dbt_methods.o dbt_allocate_wrap.o dbt_reshape_ops.o dbt_test.o dbt_io.o dbt_split.o dbt_types.o dbt_array_list_methods.o
-ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.a
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_int3_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_tdp_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xas_tdp_types.F xas_tdp_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tensors_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tensors_types.F qs_tensors_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_int_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/semi_empirical_int_utils.F semi_empirical_int_utils.F90
/build/reproducible-path/cp2k-2024.2/src/semi_empirical_par_utils.F:978:13:
@@ -7207,9 +7279,7 @@
951 | REAL(KIND=dp) :: a1, a2, delta, dsq, ev4, ev8, f1, f2, &
| ^
note: 'f2' was declared here
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_tdp_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:41:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_int_utils.F90
/build/reproducible-path/cp2k-2024.2/src/semi_empirical_par_utils.F:278:13:
278 | IF (n < 0) THEN
@@ -7220,24 +7290,12 @@
254 | FUNCTION get_se_basis(sep, l) RESULT(n)
| ^
note: 'n' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/pw/pw_spline_utils.F:903:70:
-
- 903 | INTEGER :: i, idirVal, j, k
- | ^
-note: 'idirval' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_par_utils.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_parameters.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/semi_empirical_parameters.F semi_empirical_parameters.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_mpole_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/semi_empirical_mpole_methods.F 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 May 3 07:30:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_parameters.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_parameters.F90
/build/reproducible-path/cp2k-2024.2/src/pw/dirichlet_bc_methods.F:898:13:
898 | IF (h .GT. MINVAL((/Lx, Lz/))) THEN
@@ -7248,6 +7306,30 @@
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="\"Tue Apr 1 03:41:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_parameters.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_parameters.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_mpole_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'post_scf_bandstructure_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/pw/pw_spline_utils.F:903:70:
+
+ 903 | INTEGER :: i, idirVal, j, k
+ | ^
+note: 'idirval' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gw_communication.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_communication.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' gw_communication.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dirichlet_bc_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ps_implicit_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' ps_implicit_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_spline_utils.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_poisson.o' due to: target does not exist
@@ -7256,61 +7338,12 @@
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_util.F xc_util.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_ddapc_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_ddapc_methods.F 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 May 3 07:30:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_poisson.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_ddapc_methods.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:513: update target 'cp_spline_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/cp_spline_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw_env/' cp_spline_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_mpole_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tensors_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:162: update target '/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'post_scf_bandstructure_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/post_scf_bandstructure_types.F post_scf_bandstructure_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_gw_ic.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rpa_gw_ic.F rpa_gw_ic.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dirichlet_bc_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 May 3 07:30:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' post_scf_bandstructure_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_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 May 3 07:30:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_ic.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_gw_ic.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ps_implicit_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' ps_implicit_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_rho_set_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_set_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_rho_set_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_int_gks.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_spline_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rs_pw_interface.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/rs_pw_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_poisson.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/cp_spline_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw_env/' cp_spline_utils.F90
/build/reproducible-path/cp2k-2024.2/src/semi_empirical_int_utils.F:315:38:
315 | add = (pij + pkl)**2
@@ -7371,41 +7404,45 @@
1144 | iscreen, shortrange, pc_coulomb_int, max_multipole, itype, eval) RESULT(res)
| ^
note: 'res' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_poisson.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_util.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ewald_environment_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ewald_environment_types.F ewald_environment_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_mm.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ewald_environment_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_spline_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_rho_set_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_rho_set_types.F xc_rho_set_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rs_pw_interface.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_set_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/rs_pw_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw_env/' rs_pw_interface.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_int_gks.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'rs_pw_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 May 3 07:30:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mm.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_mm.F90
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a"
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a rs_pw_interface.o cp_spline_utils.o gaussian_gridlevels.o pw_env_types.o
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_tdp_types.mod' due to: target does not exist
-true
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a gaussian_gridlevels.o pw_env_types.o rs_pw_interface.o cp_spline_utils.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_gw_ic.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_poisson.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_rho_set_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ewald_environment_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ewald_environment_types.F ewald_environment_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_mm.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mm.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_mm.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gw_communication.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_kpp1_env_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_kpp1_env_types.F qs_kpp1_env_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_tfw.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_tfw.F xc_tfw.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xbecke88_long_range.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F xc_xbecke88_long_range.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xbecke_roussel.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke_roussel.F xc_xbecke_roussel.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tfw.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_kpp1_env_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_long_range.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke_roussel.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_xbecke_roussel.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_libxc.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_libxc.F xc_libxc.F90
/build/reproducible-path/cp2k-2024.2/src/semi_empirical_int_utils.F:1920:42:
1920 | sb_d = (sqb_d*r - sqb*r_d)*r2i
@@ -7436,13 +7473,11 @@
1701 | sqb, sqb2i, x11, x22, x33
| ^
note: 'x33' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_pbe.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/src/semi_empirical_int_utils.F:1942:83:
1942 | d_d(:, 4, 1) = c2a_d*(cb2 + 0.5_dp*sb2) + c2a*(cb2_d + 0.5_dp*sb2_d)
| ^
Warning: 'c2a' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_pbe.F xc_pbe.F90
/build/reproducible-path/cp2k-2024.2/src/semi_empirical_int_utils.F:1699:66:
1699 | REAL(KIND=dp) :: b, c2a, c2b, ca, ca2, cb, cb2, check, &
@@ -7498,11 +7533,41 @@
1700 | pt5sq3, r2i, s2a, s2b, sa, sb, sb2, &
| ^
note: 'sb2' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_thomas_fermi.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_thomas_fermi.F xc_thomas_fermi.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pbe.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_thomas_fermi.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_thomas_fermi.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_rho_set_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_kpp1_env_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_kpp1_env_types.F qs_kpp1_env_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xbecke_roussel.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke_roussel.F xc_xbecke_roussel.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_pade.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_pade.F xc_pade.F90
+/build/reproducible-path/cp2k-2024.2/src/pw/ps_implicit_methods.F:965:92:
+
+ 965 | CALL ps_implicit_report_ehartree(ps_implicit_env, outp_unit, ehartree/vol_scfac)
+ | ^
+Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/pw/ps_implicit_methods.F:777:86:
+
+ 777 | pres_error, tol, vol_scfac
+ | ^
+note: 'vol_scfac' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_lyp_adiabatic.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_kpp1_env_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke_roussel.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pade.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_pade.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_tpss.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_tpss.F xc_tpss.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_libxc.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_libxc.F xc_libxc.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp_adiabatic.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_lyp_adiabatic.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_cs1.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tpss.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_libxc.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_vwn.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F xc_vwn.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_cs1.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_cs1.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke_roussel.F:2453:35:
2453 | t274 = t101*t104*t108*t110
@@ -8653,2126 +8718,499 @@
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-2024.2/src/xc/xc_xbecke88_long_range.F:418:69:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_vwn.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_vwn.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:557:43:
- 418 | t117*t118*t172 + 0.3333333334e0_dp*t36*t38*t196
- | ^
+ 557 | t132 = 0.40e1_dp*t1*t129*t10
+ | ^
Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:267:78:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:454:79:
- 267 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t100, t1002, &
- | ^
+ 454 | REAL(KIND=dp) :: cf, my_ndrho, my_ndrhoa, my_ndrhob, my_rhoa, my_rhob, t1, t10, t100, t102, &
+ | ^
note: 't1' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:406:67:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:616:103:
- 406 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86
- | ^
+ 616 | t300 - 0.1111111111e0_dp*t115*t188)
+ | ^
Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:267:83:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:454:84:
- 267 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t100, t1002, &
- | ^
+ 454 | REAL(KIND=dp) :: cf, my_ndrho, my_ndrhoa, my_ndrhob, my_rhoa, my_rhob, t1, t10, t100, t102, &
+ | ^
note: 't10' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:408:59:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:596:66:
- 408 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169
- | ^
-Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:268:77:
+ 596 | t246 = 0.2e1_dp/0.3e1_dp*t14*t17*t216*t225*t67*t103
+ | ^
+Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:455:13:
- 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, &
- | ^
-note: 't11' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:406:67:
+ 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, &
+ | ^
+note: 't103' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:653:132:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:269:86:
+ 653 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp))
+ | ^
+Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:455:25:
- 269 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, &
- | ^
-note: 't12' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:355:27:
+ 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, &
+ | ^
+note: 't108' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:640:132:
- 355 | t75 = t16**2
- | ^
-Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:272:50:
+ 640 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355))
+ | ^
+Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:455:31:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:354:28:
+ 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, &
+ | ^
+note: 't113' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:640:132:
- 354 | t72 = t71*t17
- | ^
+ 640 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355))
+ | ^
+Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:455:37:
+
+ 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, &
+ | ^
+note: 't115' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:628:108:
+
+ 628 | - t300 - 0.1111111111e0_dp*t115*t316)
+ | ^
+Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:455:43:
+
+ 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, &
+ | ^
+note: 't118' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:616:103:
+
+ 616 | t300 - 0.1111111111e0_dp*t115*t188)
+ | ^
+Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:455:49:
+
+ 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, &
+ | ^
+note: 't119' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:568:29:
+
+ 568 | t162 = t15*t76
+ | ^
+Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:456:42:
+
+ 456 | t140, t141, t143, t145, t146, t15, t151, t153, t157, t16, t162, t165, t169, t17, t171, &
+ | ^
+note: 't15' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:596:66:
+
+ 596 | t246 = 0.2e1_dp/0.3e1_dp*t14*t17*t216*t225*t67*t103
+ | ^
Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:272:67:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:456:88:
- 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, &
- | ^
+ 456 | t140, t141, t143, t145, t146, t15, t151, t153, t157, t16, t162, t165, t169, t17, t171, &
+ | ^
note: 't17' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:408:59:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:616:103:
- 408 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169
- | ^
+ 616 | t300 - 0.1111111111e0_dp*t115*t188)
+ | ^
Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:272:96:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:457:24:
- 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, &
- | ^
+ 457 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, &
+ | ^
note: 't18' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:578:29:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:650:103:
- 578 | t576 = t2*t501
- | ^
+ 650 | t421 = REAL(2*t25*t41*my_ndrho, dp) - 0.1333333333e1_dp*REAL(t19, dp)*REAL(my_ndrho, dp)
+ | ^
+Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:457:53:
+
+ 457 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, &
+ | ^
+note: 't19' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:581:46:
+
+ 581 | t194 = 0.1333333333e1_dp*t2*t42
+ | ^
Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:273:35:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:457:75:
- 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213
- | ^
+ 457 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, &
+ | ^
note: 't2' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:382:28:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:590:71:
- 382 | t126 = t21**2
- | ^
+ 590 | t220 = 0.26666666666666666667e1_dp*t74/t21/t19*t216*t103
+ | ^
Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:273:52:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:457:92:
- 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213
- | ^
+ 457 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, &
+ | ^
note: 't21' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:372:34:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:640:132:
- 372 | t104 = 0.1e1_dp/t23
- | ^
+ 640 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355))
+ | ^
Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:274:67:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:458:48:
- 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, &
- | ^
+ 458 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, &
+ | ^
note: 't23' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:404:74:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:616:103:
- 404 | 0.2222222224e0_dp*t24*t98*t155)*sx
- | ^
+ 616 | t300 - 0.1111111111e0_dp*t115*t188)
+ | ^
Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:275:12:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:458:65:
- 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, &
- | ^
+ 458 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, &
+ | ^
note: 't24' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:373:30:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:650:103:
- 373 | t105 = t28*t104
- | ^
-Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:18:
+ 650 | t421 = REAL(2*t25*t41*my_ndrho, dp) - 0.1333333333e1_dp*REAL(t19, dp)*REAL(my_ndrho, dp)
+ | ^
+Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:458:76:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:378:31:
+ 458 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, &
+ | ^
+note: 't25' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:587:132:
- 378 | t116 = omega*t29
- | ^
-Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:47:
+ 587 | *my_rhoa + t196)*t48 + t200*t47
+ | ^
+Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:459:41:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:406:67:
+ 459 | t266, t27, t270, t273, t276, t28, t280, t285, t288, t294, t3, t30, t300, t307, t31, t316, &
+ | ^
+note: 't28' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:642:34:
- 406 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86
- | ^
+ 642 | t387 = t3*my_ndrhob
+ | ^
Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:63:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:459:69:
- 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, &
- | ^
+ 459 | t266, t27, t270, t273, t276, t28, t280, t285, t288, t294, t3, t30, t300, t307, t31, t316, &
+ | ^
note: 't3' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:376:26:
-
- 376 | t109
- | ^
-Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:376:26:
-
- 376 | t109
- | ^
-Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:401:26:
-
- 401 | t151
- | ^
-Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:401:26:
-
- 401 | t151
- | ^
-Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:384:30:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:624:67:
- 384 | t128 = t40*t127
- | ^
-Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:12:
+ 624 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47
+ | ^
+Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:460:12:
- 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, &
+ 460 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42
| ^
-note: 't40' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:416:59:
+note: 't32' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:650:103:
- 416 | *t52 - 0.5000000001e0_dp*t41*t172*t46
- | ^
+ 650 | t421 = REAL(2*t25*t41*my_ndrho, dp) - 0.1333333333e1_dp*REAL(t19, dp)*REAL(my_ndrho, dp)
+ | ^
Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:47:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:460:68:
- 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, &
- | ^
+ 460 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42
+ | ^
note: 't41' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:387:30:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:607:26:
- 387 | t133 = t42*t132
- | ^
+ 607 | *t42
+ | ^
Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:76:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:460:73:
- 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, &
- | ^
+ 460 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42
+ | ^
note: 't42' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:416:59:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:636:61:
- 416 | *t52 - 0.5000000001e0_dp*t41*t172*t46
- | ^
+ 636 | *t355) + REAL(2*t65*my_ndrhoa, dp)
+ | ^
Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:280:47:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:32:
- 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
- | ^
+ 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
+ | ^
note: 't46' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:398:58:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:624:67:
- 398 | *t143 - 0.5555555558e-1_dp*t146*t148
- | ^
+ 624 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47
+ | ^
Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:281:44:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:37:
- 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, &
- | ^
+ 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
+ | ^
note: 't47' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:395:30:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:624:67:
- 395 | t147 = t49*t135
- | ^
+ 624 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47
+ | ^
+Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:42:
+
+ 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
+ | ^
+note: 't48' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:610:26:
+
+ 610 | *t49
+ | ^
Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:281:96:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:47:
- 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, &
- | ^
+ 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
+ | ^
note: 't49' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:359:31:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:569:32:
- 359 | t84 = 1 + t5*t10
- | ^
+ 569 | t165 = t5*t76*t10
+ | ^
Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:23:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:51:
- 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, &
- | ^
+ 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
+ | ^
note: 't5' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:393:34:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:636:61:
- 393 | t143 = t48*t141*t51
- | ^
+ 636 | *t355) + REAL(2*t65*my_ndrhoa, dp)
+ | ^
Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:52:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:56:
- 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, &
- | ^
+ 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
+ | ^
note: 't51' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:401:26:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:612:60:
- 401 | t151
- | ^
+ 612 | /0.3e1_dp*t285)*t55
+ | ^
Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:283:54:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:61:
- 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, &
- | ^
+ 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
+ | ^
note: 't55' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:286:67:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:624:67:
- 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, &
+ 624 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47
| ^
-note: 't8' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:516:66:
+Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:66:
- 516 | *t31*t404 - 0.5000000000e0_dp*t105*t109*t172
+ 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
| ^
-Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:785:32:
-
- 785 | t98*t1400
- | ^
-Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:269:81:
+note: 't58' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:558:41:
- 269 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, &
- | ^
-note: 't118' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:545:70:
+ 558 | t135 = 0.1e1_dp/t6/t19*t78
+ | ^
+Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:70:
- 545 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492
+ 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
| ^
-Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:451:69:
+note: 't6' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:644:61:
- 451 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133
- | ^
-Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:270:57:
+ 644 | *t387) + REAL(2*t63*my_ndrhob, dp)
+ | ^
+Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:80:
- 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, &
- | ^
-note: 't133' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:536:30:
+ 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
+ | ^
+note: 't63' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:636:61:
- 536 | t489 = t41*t135
- | ^
-Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:270:84:
+ 636 | *t355) + REAL(2*t65*my_ndrhoa, dp)
+ | ^
+Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:85:
- 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, &
- | ^
-note: 't135' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:702:68:
+ 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
+ | ^
+note: 't65' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:596:66:
- 702 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091
- | ^
-Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:270:90:
+ 596 | t246 = 0.2e1_dp/0.3e1_dp*t14*t17*t216*t225*t67*t103
+ | ^
+Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:90:
- 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, &
+ 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
| ^
-note: 't136' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:273:19:
+note: 't67' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:653:132:
- 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213
- | ^
-note: 't186' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:540:82:
+ 653 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp))
+ | ^
+Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:12:
- 540 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466
- | ^
-Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:273:25:
+ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
+ | ^
+note: 't73' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:590:71:
- 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213
- | ^
-note: 't190' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:545:70:
+ 590 | t220 = 0.26666666666666666667e1_dp*t74/t21/t19*t216*t103
+ | ^
+Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:17:
- 545 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492
- | ^
-Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:273:31:
+ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
+ | ^
+note: 't74' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:602:31:
- 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213
+ 602 | t276 = d*t76*t10
| ^
-note: 't196' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:286:35:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:22:
- 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, &
- | ^
+ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
+ | ^
note: 't76' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:447:30:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:589:37:
- 447 | t255 = t77*t254
- | ^
+ 589 | t216 = 0.1e1_dp/t77/t9
+ | ^
Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:286:46:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:27:
- 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, &
- | ^
+ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
+ | ^
note: 't77' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:505:55:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:603:42:
- 505 | t87 + 0.8000000000e1_dp*t393*t397
- | ^
-Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:286:51:
+ 603 | t280 = t102*t169*t78*lambda
+ | ^
+Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:32:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:443:38:
+ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
+ | ^
+note: 't78' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:628:108:
- 443 | t250 = 0.1e1_dp/t85/t84
- | ^
-Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:286:78:
+ 628 | - t300 - 0.1111111111e0_dp*t115*t316)
+ | ^
+Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:37:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:443:38:
+ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
+ | ^
+note: 't80' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:566:38:
- 443 | t250 = 0.1e1_dp/t85/t84
+ 566 | t153 = 0.1e1_dp/t21/t84
| ^
-Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:286:95:
+Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:47:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:560:66:
+ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
+ | ^
+note: 't84' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:616:103:
- 560 | t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250
- | ^
+ 616 | t300 - 0.1111111111e0_dp*t115*t188)
+ | ^
Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:287:18:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:57:
- 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961
- | ^
+ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
+ | ^
note: 't86' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:505:55:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:594:59:
- 505 | t87 + 0.8000000000e1_dp*t393*t397
- | ^
+ 594 | t231 = t14*t223*t225*lambda*t17*t87/0.3e1_dp
+ | ^
Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:287:35:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:62:
- 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961
- | ^
+ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
+ | ^
note: 't87' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:434:30:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:589:37:
- 434 | t226 = t225*t90
- | ^
+ 589 | t216 = 0.1e1_dp/t77/t9
+ | ^
+Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:66:
+
+ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
+ | ^
+note: 't9' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:616:103:
+
+ 616 | t300 - 0.1111111111e0_dp*t115*t188)
+ | ^
Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:287:46:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:71:
- 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961
- | ^
+ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
+ | ^
note: 't90' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:508:72:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:597:40:
- 508 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401
- | ^
+ 597 | t250 = 4*t18*t78*t141*t91
+ | ^
Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:287:51:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:76:
- 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961
- | ^
+ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
+ | ^
note: 't91' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:545:70:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:640:132:
- 545 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492
- | ^
+ 640 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355))
+ | ^
Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:287:62:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:81:
- 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961
- | ^
+ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
+ | ^
note: 't94' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:493:94:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:653:132:
- 493 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx
- | ^
+ 653 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp))
+ | ^
Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:287:67:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:86:
- 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961
- | ^
+ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
+ | ^
note: 't95' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:785:32:
-
- 785 | t98*t1400
- | ^
-Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:659:67:
-
- 659 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842
- | ^
-Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:659:67:
-
- 659 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842
- | ^
-Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:614:63:
-
- 614 | /t69*t669)
- | ^
-Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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: 't222' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:274:62:
-
- 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-2024.2/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-2024.2/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: 't230' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:674:58:
-
- 674 | *t244*my_ndrho/t657/t7*t669)
- | ^
-Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:274:91:
-
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:674:58:
-
- 674 | *t244*my_ndrho/t657/t7*t669)
- | ^
-Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:674:58:
-
- 674 | *t244*my_ndrho/t657/t7*t669)
- | ^
-Warning: 't244' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:741:80:
-
- 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669)
- | ^
-Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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: 't245' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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: 't251' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:674:58:
-
- 674 | *t244*my_ndrho/t657/t7*t669)
- | ^
-Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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: 't255' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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: 't259' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:275:77:
-
- 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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:275:94:
-
- 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-2024.2/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-2024.2/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: 't271' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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: 't285' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:776:37:
-
- 776 | *t36*t38*t1396
- | ^
-Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:717:76:
-
- 717 | + t1136)
- | ^
-Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:74:
-
- 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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:276:97:
-
- 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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:277:13:
-
- 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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:277:31:
-
- 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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:709:36:
-
- 709 | t41*t328*t466
- | ^
-Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:277:61:
-
- 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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:277:67:
-
- 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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:277:84:
-
- 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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:277:90:
-
- 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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:278:13:
-
- 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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:785:32:
-
- 785 | t98*t1400
- | ^
-Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:785:32:
-
- 785 | t98*t1400
- | ^
-Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:278:53:
-
- 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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:741:80:
-
- 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669)
- | ^
-Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:794:102:
-
- 794 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669)
- | ^
-Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:278:87:
-
- 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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:278:93:
-
- 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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:279:18:
-
- 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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:785:32:
-
- 785 | t98*t1400
- | ^
-Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:30:
-
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:726:76:
-
- 726 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141)
- | ^
-Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:36:
-
- 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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:279:42:
-
- 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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:279:59:
-
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:688:57:
-
- 688 | - 0.1111111111e0_dp*t117*t293*t404
- | ^
-Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:688:57:
-
- 688 | - 0.1111111111e0_dp*t117*t293*t404
- | ^
-Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:82:
-
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:776:37:
-
- 776 | *t36*t38*t1396
- | ^
-Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:280:13:
-
- 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
- | ^
-note: 't435' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:280:24:
-
- 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
- | ^
-note: 't451' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:688:57:
-
- 688 | - 0.1111111111e0_dp*t117*t293*t404
- | ^
-Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:280:36:
-
- 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
- | ^
-note: 't455' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:688:57:
-
- 688 | - 0.1111111111e0_dp*t117*t293*t404
- | ^
-Warning: 't460' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:280:53:
-
- 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
- | ^
-note: 't460' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:280:59:
-
- 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
- | ^
-note: 't462' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:280:65:
-
- 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
- | ^
-note: 't463' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:280:71:
-
- 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
- | ^
-note: 't464' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:281:27:
-
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:812:74:
-
- 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46)
- | ^
-Warning: 't466' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:281:39:
-
- 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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:281:62:
-
- 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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:760:63:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:653:132:
- 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345
- | ^
-Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:281:91:
+ 653 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp))
+ | ^
+Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:91:
- 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, &
+ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
| ^
-note: 't489' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:717:76:
-
- 717 | + t1136)
- | ^
-Warning: 't492' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:818:44:
-
- 818 | *sx
- | ^
-Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:29:
-
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:785:32:
-
- 785 | t98*t1400
- | ^
-Warning: 't502' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:35:
-
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:785:32:
-
- 785 | t98*t1400
- | ^
-Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:741:80:
-
- 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669)
- | ^
-Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:282:64:
-
- 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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:818:44:
-
- 818 | *sx
- | ^
-Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:785:32:
-
- 785 | t98*t1400
- | ^
-Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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
+note: 't96' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_perdew_zunger.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_zunger.F xc_perdew_zunger.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke_roussel.F:1669:86:
1669 | t256)*t95*t237 - t94*t97/t29
@@ -11493,13 +9931,11 @@
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-2024.2/Makefile:513: update target 'xc_ke_gga.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke_roussel.F:1399:23:
1399 | t459 = t31*t42
| ^
Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_ke_gga.F xc_ke_gga.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke_roussel.F:1171:18:
1171 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33
@@ -11805,47 +10241,11 @@
1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99
| ^
note: 't99' was declared here
-/build/reproducible-path/cp2k-2024.2/src/pw/ps_implicit_methods.F:965:92:
-
- 965 | CALL ps_implicit_report_ehartree(ps_implicit_env, outp_unit, ehartree/vol_scfac)
- | ^
-Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/pw/ps_implicit_methods.F:777:86:
-
- 777 | pres_error, tol, vol_scfac
- | ^
-note: 'vol_scfac' was declared here
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_ke_gga.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_ke_gga.F90
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_pbe.F:540:29:
-
- 540 | t78 = beta*t77
- | ^
-Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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="\"Tue Apr 1 03:41:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_zunger.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_perdew_zunger.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_optx.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_optx.F xc_optx.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_b97.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_b97.F xc_b97.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke_roussel.F:980:125:
980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx
@@ -12276,8 +10676,7 @@
833 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval
| ^
note: 't9' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_perdew_zunger.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_optx.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_optx.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke_roussel.F:793:105:
793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx
@@ -12648,3911 +11047,1050 @@
589 | t96, t97, yval
| ^
note: 't97' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_cs1.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:26 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_zunger.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_perdew_zunger.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xlda_hole_t_c_lr.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F xc_xlda_hole_t_c_lr.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1172:67:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_b97.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xalpha.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_xalpha.F xc_xalpha.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:813:82:
- 1172 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86
- | ^
+ 813 | t121 - t24*(t134*t10 + 0.3177280975e0_dp*t137*t121)*t38)
+ | ^
Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1035:77:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:683:73:
- 1035 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1174:59:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:803:30:
- 1174 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169
- | ^
+ 803 | t125 = t124*t11
+ | ^
Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1036:70:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:684:43:
- 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, &
- | ^
+ 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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1121:27:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:794:28:
- 1121 | t75 = t16**2
- | ^
+ 794 | t113 = t16**2
+ | ^
Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1040:44:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:53:
- 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, &
- | ^
+ 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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1344:29:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:857:75:
- 1344 | t576 = t2*t501
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1041:29:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:688:17:
- 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216
- | ^
+ 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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1170:84:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:813:82:
- 1170 | 0.2222222224e0_dp*t24*t98*t155)*sx
- | ^
+ 813 | t121 - t24*(t134*t10 + 0.3177280975e0_dp*t137*t121)*t38)
+ | ^
Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1042:96:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:689:66:
- 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, &
- | ^
+ 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240
+ | ^
note: 't24' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1139:30:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:808:39:
- 1139 | t105 = t28*t104
- | ^
-Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1044:12:
+ 808 | t133 = t26**(-0.20e1_dp)
+ | ^
+Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:690:91:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1144:31:
+ 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-2024.2/src/xc/xc_vwn.F:806:29:
- 1144 | t116 = omega*t29
- | ^
-Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1044:41:
+ 806 | t130 = t27*t96
+ | ^
+Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:691:36:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1172:67:
+ 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-2024.2/src/xc/xc_vwn.F:852:32:
- 1172 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86
- | ^
+ 852 | t206 = -t3 - t146
+ | ^
Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1044:57:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:692:46:
- 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1142:26:
-
- 1142 | t109
- | ^
-Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1142:26:
-
- 1142 | t109
- | ^
-Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1167:26:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:810:30:
- 1167 | t151
- | ^
-Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1046:18:
+ 810 | t136 = t32*t114
+ | ^
+Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:693:18:
- 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, &
+ 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, &
| ^
-note: 't36' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1167:26:
+note: 't32' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:813:82:
- 1167 | t151
- | ^
+ 813 | t121 - t24*(t134*t10 + 0.3177280975e0_dp*t137*t121)*t38)
+ | ^
Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1046:52:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:694:89:
- 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, &
- | ^
+ 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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1046:92:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:792:46:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1182:59:
+ 792 | t109 = t4**(-0.3333333332e0_dp)
+ | ^
+Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:695:59:
- 1182 | *t52 - 0.5000000001e0_dp*t41*t172*t46
+ 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, &
| ^
-Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1153:30:
+note: 't4' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:857:75:
- 1153 | t133 = t42*t132
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1047:71:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:696:30:
- 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, &
- | ^
+ 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43
+ | ^
note: 't42' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1151:34:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:815:29:
- 1151 | t130 = t128*t43*t94
- | ^
+ 815 | t146 = t43*t91
+ | ^
Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1047:88:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:696:71:
- 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, &
- | ^
+ 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43
+ | ^
note: 't43' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1164:58:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:814:43:
- 1164 | *t143 - 0.5555555558e-1_dp*t146*t148
- | ^
-Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1049:38:
+ 814 | t145 = t45**0.333333333e0_dp
+ | ^
+Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:697:61:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1161:30:
+ 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-2024.2/src/xc/xc_vwn.F:817:43:
- 1161 | t147 = t49*t135
- | ^
-Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1049:90:
+ 817 | t150 = t48**0.333333333e0_dp
+ | ^
+Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:698:60:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1125:31:
+ 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-2024.2/src/xc/xc_vwn.F:824:29:
- 1125 | t84 = 1 + t5*t10
- | ^
+ 824 | t161 = t5*t160
+ | ^
Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1050:17:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:699:29:
- 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1159:34:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:848:30:
- 1159 | t143 = t48*t141*t51
- | ^
+ 848 | t203 = t51*t202
+ | ^
Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1050:46:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:699:70:
- 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1182:59:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:847:26:
- 1182 | *t52 - 0.5000000001e0_dp*t41*t172*t46
- | ^
-Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1050:69:
+ 847 | t144
+ | ^
+Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:700:54:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1167:26:
+ 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-2024.2/src/xc/xc_vwn.F:838:30:
- 1167 | t151
- | ^
+ 838 | t184 = t183*t55
+ | ^
Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1051:48:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:700:77:
- 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1492:76:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:829:28:
- 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141)
- | ^
+ 829 | t172 = t59**2
+ | ^
Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1052:30:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:701:47:
- 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, &
- | ^
+ 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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1052:40:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:847:26:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1175:30:
+ 847 | t144
+ | ^
+Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:702:18:
- 1175 | t173 = t60*t172
- | ^
-Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1052:45:
+ 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-2024.2/src/xc/xc_vwn.F:841:39:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1124:35:
+ 841 | t190 = t68**(-0.20e1_dp)
+ | ^
+Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:702:23:
- 1124 | t79 = 0.1e1_dp/t1/t7
- | ^
-Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1053:68:
+ 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-2024.2/src/xc/xc_vwn.F:839:30:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1179:29:
+ 839 | t187 = t69*t160
+ | ^
+Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:702:28:
- 1179 | t186 = t8*t172
- | ^
-Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1054:61:
+ 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-2024.2/src/xc/xc_vwn.F:843:30:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1353:35:
+ 843 | t193 = t74*t173
+ | ^
+Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:703:18:
- 1353 | *t36*t38*t586
- | ^
-Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1036:26:
+ 703 | t732, t74, t743, t745, t748, t752, t755, t758, t769, t78
+ | ^
+note: 't74' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:847:26:
- 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, &
+ 847 | t144
| ^
-note: 't103' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1226:36:
+Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:704:44:
- 1226 | t289 = omega*t104*t27
+ 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-2024.2/src/xc/xc_vwn.F:855:30:
+
+ 855 | t213 = t212*t85
+ | ^
+Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:705:36:
+
+ 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, &
| ^
-Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1036:32:
+note: 't85' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:857:75:
- 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, &
+ 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-2024.2/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-2024.2/src/xc/xc_vwn.F:973:31:
+
+ 973 | t413 = t412*t101
+ | ^
+Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:883:32:
+
+ 883 | *t102*t231
| ^
-note: 't104' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1353:35:
+Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:684:13:
- 1353 | *t36*t38*t586
- | ^
+ 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-2024.2/src/xc/xc_vwn.F:929:60:
+
+ 929 | *t325*t287)*t38)
+ | ^
Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1036:45:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:684:26:
- 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1282:66:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:889:31:
- 1282 | *t31*t404 - 0.5000000000e0_dp*t105*t109*t172
- | ^
+ 889 | t259 = t108*t258
+ | ^
+Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:684:32:
+
+ 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, &
+ | ^
+note: 't108' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:955:31:
+
+ 955 | t377 = t376*t109
+ | ^
Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1036:58:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:684:38:
- 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1255:68:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:929:60:
- 1255 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354
- | ^
-Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1036:83:
+ 929 | *t325*t287)*t38)
+ | ^
+Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:684:49:
- 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, &
- | ^
-note: 't112' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1311:70:
+ 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, &
+ | ^
+note: 't110' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:898:29:
- 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492
- | ^
+ 898 | t279 = t113**2
+ | ^
Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1036:89:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:684:55:
- 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1551:32:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:896:31:
- 1551 | t98*t1400
- | ^
+ 896 | t273 = t115*t245
+ | ^
+Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:929:60:
+
+ 929 | *t325*t287)*t38)
+ | ^
Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1037:41:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:684:73:
- 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1311:70:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:903:40:
- 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492
- | ^
+ 903 | t286 = 0.1e1_dp/t284*t117
+ | ^
Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1037:61:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:684:79:
- 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1255:68:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:902:29:
- 1255 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354
- | ^
-Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1037:74:
+ 902 | t284 = t119**2
+ | ^
+Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:684:85:
- 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, &
- | ^
-note: 't118' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1311:70:
+ 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-2024.2/src/xc/xc_vwn.F:897:31:
- 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492
- | ^
-Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1037:85:
+ 897 | t276 = t231*t120
+ | ^
+Warning: 't120' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:684:91:
- 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, &
- | ^
-note: 't122' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1340:29:
+ 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-2024.2/src/xc/xc_vwn.F:905:30:
- 1340 | t572 = t126**2
- | ^
-Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1038:13:
+ 905 | t291 = t124*t96
+ | ^
+Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:13:
- 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, &
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1297:30:
+note: 't124' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:913:43:
- 1297 | t473 = t94*t127
- | ^
-Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1038:19:
+ 913 | t302*t237 - t130*t251
+ | ^
+Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:19:
- 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, &
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1289:36:
+note: 't125' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:909:31:
- 1289 | t460 = t128*t132*t172
- | ^
-Warning: 't128' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1038:25:
+ 909 | t299 = t126*t230
+ | ^
+Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:25:
- 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, &
+ 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, &
| ^
-note: 't128' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1217:69:
+note: 't126' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:993:67:
- 1217 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133
- | ^
+ 993 | *t443*t408)*t80) - t332
+ | ^
+Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:31:
+
+ 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-2024.2/src/xc/xc_vwn.F:913:43:
+
+ 913 | t302*t237 - t130*t251
+ | ^
Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1038:38:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:37:
- 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1289:36:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:916:31:
- 1289 | t460 = t128*t132*t172
- | ^
+ 916 | t310 = t132*t309
+ | ^
Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1038:44:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:43:
- 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1217:69:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:914:31:
- 1217 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133
- | ^
+ 914 | t307 = t306*t133
+ | ^
Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1038:50:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:49:
- 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, &
- | ^
+ 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, &
+ | ^
note: 't133' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1302:30:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:929:60:
- 1302 | t489 = t41*t135
- | ^
-Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1038:77:
+ 929 | *t325*t287)*t38)
+ | ^
+Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:55:
- 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, &
- | ^
-note: 't135' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1468:68:
+ 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-2024.2/src/xc/xc_vwn.F:920:31:
- 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091
- | ^
+ 920 | t319 = t136*t245
+ | ^
Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1038:83:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:61:
- 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, &
- | ^
+ 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, &
+ | ^
note: 't136' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1250:63:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:929:60:
- 1250 | *t146*t347 - 0.5555555558e-1_dp*t146*t351
- | ^
+ 929 | *t325*t287)*t38)
+ | ^
Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1038:89:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:67:
- 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, &
- | ^
+ 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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1243:35:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:995:35:
- 1243 | t343 = t141*t135*t46
+ 995 | t455 = 0.2e1_dp*t144
| ^
-Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1039:60:
+Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:78:
- 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, &
- | ^
-note: 't143' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1250:63:
+ 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-2024.2/src/xc/xc_vwn.F:1001:30:
- 1250 | *t146*t347 - 0.5555555558e-1_dp*t146*t351
- | ^
-Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1039:80:
+ 1001 | t461 = t145*t43
+ | ^
+Warning: 't145' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:84:
- 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, &
- | ^
-note: 't146' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1475:36:
+ 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-2024.2/src/xc/xc_vwn.F:1000:31:
- 1475 | t41*t328*t466
- | ^
+ 1000 | t458 = t333*t147
+ | ^
Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1039:93:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:96:
- 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, &
- | ^
+ 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, &
+ | ^
note: 't147' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1306:82:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1003:30:
- 1306 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466
- | ^
-Warning: 't148' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1040:20:
+ 1003 | t467 = t150*t43
+ | ^
+Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:18:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1255:68:
+ 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-2024.2/src/xc/xc_vwn.F:1002:31:
- 1255 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354
- | ^
+ 1002 | t464 = t342*t151
+ | ^
Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1040:26:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:24:
- 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1191:30:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:940:31:
- 1191 | t207 = t27*t155
+ 940 | t351 = t154*t202
+ | ^
+Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:30:
+
+ 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-2024.2/src/xc/xc_vwn.F:1010:48:
+
+ 1010 | + t213)*sc
+ | ^
Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1040:32:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:36:
- 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1322:29:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:954:32:
- 1322 | t513 = t168**2
- | ^
+ 954 | *t161*t373
+ | ^
+Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:42:
+
+ 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, &
+ | ^
+note: 't156' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:946:39:
+
+ 946 | t363 = 0.1e1_dp/t159/t54
+ | ^
+Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:972:31:
+
+ 972 | t412 = t183*t160
+ | ^
+Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:954:32:
+
+ 954 | *t161*t373
+ | ^
+Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:65:
+
+ 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-2024.2/src/xc/xc_vwn.F:951:32:
+
+ 951 | *t162*t231
+ | ^
+Warning: 't162' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:71:
+
+ 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-2024.2/src/xc/xc_vwn.F:993:67:
+
+ 993 | *t443*t408)*t80) - t332
+ | ^
+Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:77:
+
+ 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-2024.2/src/xc/xc_vwn.F:956:31:
+
+ 956 | t380 = t168*t258
+ | ^
Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1040:50:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:83:
- 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1329:41:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:993:67:
- 1329 | - 0.20e1_dp*t6*t526
- | ^
+ 993 | *t443*t408)*t80) - t332
+ | ^
Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1040:56:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:89:
- 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1353:35:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:965:29:
- 1353 | *t36*t38*t586
- | ^
+ 965 | t400 = t172**2
+ | ^
Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1040:67:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:95:
- 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1316:79:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:963:31:
- 1316 | *t24*t98*t496)*sx
- | ^
-Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1040:73:
+ 963 | t394 = t174*t245
+ | ^
+Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:19:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1353:35:
+ 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-2024.2/src/xc/xc_vwn.F:993:67:
- 1353 | *t36*t38*t586
- | ^
-Warning: 't177' 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 May 3 07:30:26 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_cs1.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_cs1.F90
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1040:85:
+ 993 | *t443*t408)*t80) - t332
+ | ^
+Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:25:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1348:64:
+ 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-2024.2/src/xc/xc_vwn.F:970:40:
- 1348 | *t580*t52 - 0.5000000001e0_dp*t41*t529*t46
- | ^
-Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1040:96:
+ 970 | t407 = 0.1e1_dp/t405*t176
+ | ^
+Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:31:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1311:70:
+ 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-2024.2/src/xc/xc_vwn.F:969:29:
- 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492
- | ^
-Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1041:13:
+ 969 | t405 = t178**2
+ | ^
+Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:37:
- 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216
- | ^
-note: 't186' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1306:82:
+ 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-2024.2/src/xc/xc_vwn.F:964:31:
- 1306 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466
- | ^
-Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1041:19:
+ 964 | t397 = t231*t179
+ | ^
+Warning: 't179' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:43:
- 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216
- | ^
-note: 't190' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1311:70:
+ 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-2024.2/src/xc/xc_vwn.F:972:31:
- 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492
- | ^
-Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1041:25:
+ 972 | t412 = t183*t160
+ | ^
+Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:55:
- 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216
- | ^
-note: 't196' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1261:30:
+ 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, &
+ | ^
+note: 't183' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:977:43:
- 1261 | t365 = t27*t200
- | ^
-Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1041:35:
+ 977 | t420*t365 - t187*t373
+ | ^
+Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:61:
- 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216
- | ^
-note: 't200' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1316:79:
+ 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-2024.2/src/xc/xc_vwn.F:977:43:
- 1316 | *t24*t98*t496)*sx
- | ^
-Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1053:12:
+ 977 | t420*t365 - t187*t373
+ | ^
+Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:67:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1259:104:
+ 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-2024.2/src/xc/xc_vwn.F:980:31:
- 1259 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx
- | ^
-Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1053:53:
+ 980 | t428 = t189*t427
+ | ^
+Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:73:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1210:47:
+ 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-2024.2/src/xc/xc_vwn.F:978:31:
- 1210 | t251 = 0.1e1_dp/t1/t219/t69*t250
- | ^
-Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1053:64:
+ 978 | t425 = t424*t190
+ | ^
+Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:84:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1199:29:
+ 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-2024.2/src/xc/xc_vwn.F:993:67:
- 1199 | t225 = t71*t76
- | ^
-Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1053:73:
+ 993 | *t443*t408)*t80) - t332
+ | ^
+Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:90:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1274:72:
+ 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-2024.2/src/xc/xc_vwn.F:984:31:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1053:84:
+ 984 | t437 = t193*t245
+ | ^
+Warning: 't193' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:96:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1201:38:
+ 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-2024.2/src/xc/xc_vwn.F:993:67:
- 1201 | t230 = 0.1e1_dp/t75/t16
- | ^
-Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1054:24:
+ 993 | *t443*t408)*t80) - t332
+ | ^
+Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:688:13:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1199:29:
+ 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-2024.2/src/xc/xc_vwn.F:1007:31:
- 1199 | t225 = t71*t76
- | ^
-Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1054:29:
+ 1007 | t472 = t212*t202
+ | ^
+Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:688:23:
- 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, &
+ 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-2024.2/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-2024.2/src/xc/xc_vwn.F:688:29:
+
+ 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, &
| ^
-note: 't76' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1327:30:
+note: 't203' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1011:29:
- 1327 | t526 = t77*t525
- | ^
-Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1054:40:
+ 1011 | t475 = t206**2
+ | ^
+Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:688:35:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1271:55:
+ 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-2024.2/src/xc/xc_vwn.F:1013:29:
- 1271 | t87 + 0.8000000000e1_dp*t393*t397
- | ^
-Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1054:45:
+ 1013 | t482 = t209**2
+ | ^
+Warning: 't209' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:688:41:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1209:38:
+ 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, &
+ | ^
+note: 't209' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1007:31:
- 1209 | t250 = 0.1e1_dp/t85/t84
- | ^
-Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1054:72:
+ 1007 | t472 = t212*t202
+ | ^
+Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:688:52:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1209:38:
+ 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-2024.2/src/xc/xc_vwn.F:1020:102:
- 1209 | t250 = 0.1e1_dp/t85/t84
- | ^
-Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1054:89:
+ 1020 | e_bb(ip) = e_bb(ip) + ((t332 + t489 + t490 + t452)*t2 + t455 + 0.2e1_dp*t213 + t457)*sc
+ | ^
+Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:688:58:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1326:66:
+ 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-2024.2/src/xc/xc_vwn.F:944:30:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1055:12:
+ 944 | t356 = t88*t160
+ | ^
+Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:705:82:
- 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98
- | ^
-note: 't86' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1271:55:
+ 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-2024.2/src/xc/xc_vwn.F:886:31:
- 1271 | t87 + 0.8000000000e1_dp*t393*t397
- | ^
-Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1055:29:
+ 886 | *t97*t251
+ | ^
+Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:705:87:
- 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98
- | ^
-note: 't87' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1266:30:
+ 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, &
+ | ^
+note: 't89' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:871:37:
- 1266 | t383 = t230*t90
- | ^
+ 871 | t230 = 0.1e1_dp/t90/t2
+ | ^
Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1055:40:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:705:92:
- 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1274:72:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:958:30:
- 1274 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401
- | ^
+ 958 | t382 = t381*t91
+ | ^
Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1055:45:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:705:97:
- 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1311:70:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:945:30:
- 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492
- | ^
-Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1055:56:
+ 945 | t357 = t92*t165
+ | ^
+Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:706:12:
- 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98
- | ^
-note: 't94' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1259:104:
+ 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p
+ | ^
+note: 't92' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:873:38:
- 1259 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx
- | ^
+ 873 | t235 = 0.1e1_dp/t95/t10
+ | ^
Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1055:61:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:706:23:
- 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98
- | ^
+ 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p
+ | ^
note: 't95' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1551:32:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:905:30:
- 1551 | t98*t1400
- | ^
-Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1041:41:
+ 905 | t291 = t124*t96
+ | ^
+Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:706:46:
- 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216
- | ^
-note: 't207' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1492:76:
+ 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p
+ | ^
+note: 't96' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:886:31:
- 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141)
- | ^
-Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1041:52:
+ 886 | *t97*t251
+ | ^
+Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:706:57:
- 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216
- | ^
-note: 't211' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1492:76:
+ 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p
+ | ^
+note: 't97' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:879:48:
- 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141)
- | ^
-Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1041:58:
+ 879 | t244 = 0.6057068640e0_dp*t98*t230
+ | ^
+Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:706:62:
- 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216
- | ^
-note: 't212' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1425:67:
+ 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p
+ | ^
+note: 't98' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1118:36:
- 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842
- | ^
-Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1041:64:
+ 1118 | t808 = t216*t160*t807
+ | ^
+Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:688:64:
- 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1425:67:
+note: 't216' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1033:31:
- 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842
- | ^
-Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1041:70:
+ 1033 | t510 = t217*t509
+ | ^
+Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:688:70:
- 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1380:63:
+note: 't217' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1026:39:
- 1380 | /t69*t669)
- | ^
-Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1042:27:
+ 1026 | t499 = 0.1e1_dp/t220/t90
+ | ^
+Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:688:88:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1366:30:
+ 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-2024.2/src/xc/xc_vwn.F:1197:50:
- 1366 | t628 = t221*t76
- | ^
+ 1197 | + t489)*sc
+ | ^
Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1042:38:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:688:94:
- 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, &
- | ^
+ 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, &
+ | ^
note: 't221' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1440:55:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1117:31:
- 1440 | *t244*ndrho/t657/t7*t669)
- | ^
+ 1117 | t807 = t222*t165
+ | ^
Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1042:44:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:689:13:
- 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, &
- | ^
+ 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240
+ | ^
note: 't222' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1507:77:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1099:40:
- 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669)
- | ^
+ 1099 | *bp*t625*t565*t559
+ | ^
Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1042:50:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:689:25:
- 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, &
- | ^
+ 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240
+ | ^
note: 't225' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1440:55:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1099:40:
- 1440 | *t244*ndrho/t657/t7*t669)
- | ^
+ 1099 | *bp*t625*t565*t559
+ | ^
Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1042:56:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:689:31:
- 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, &
- | ^
+ 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240
+ | ^
note: 't226' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1560:99:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1197:50:
- 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669)
- | ^
+ 1197 | + t489)*sc
+ | ^
Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1042:67:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:689:37:
- 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, &
- | ^
+ 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240
+ | ^
note: 't230' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1440:55:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1121:31:
- 1440 | *t244*ndrho/t657/t7*t669)
- | ^
-Warning: 't232' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1042:79:
+ 1121 | t820 = t231*t165
+ | ^
+Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:689:43:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1440:55:
+ 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240
+ | ^
+note: 't231' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1099:40:
- 1440 | *t244*ndrho/t657/t7*t669)
- | ^
-Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1042:85:
+ 1099 | *bp*t625*t565*t559
+ | ^
+Warning: 't235' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:689:49:
- 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-2024.2/src/xc/xc_xbecke88_long_range.F:1440:55:
+ 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240
+ | ^
+note: 't235' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1099:40:
- 1440 | *t244*ndrho/t657/t7*t669)
+ 1099 | *bp*t625*t565*t559
+ | ^
+Warning: 't236' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:689:55:
+
+ 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240
| ^
-Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1483:76:
-
- 1483 | + t1136)
- | ^
-Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1584:49:
-
- 1584 | *sx
- | ^
-Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1551:32:
-
- 1551 | t98*t1400
- | ^
-Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1551:32:
-
- 1551 | t98*t1400
- | ^
-Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:513: update target 'xc_lyp_adiabatic.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F xc_lyp_adiabatic.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1483:76:
-
- 1483 | + t1136)
- | ^
-Warning: 't492' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1584:49:
-
- 1584 | *sx
- | ^
-Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1551:32:
-
- 1551 | t98*t1400
- | ^
-Warning: 't502' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1551:32:
-
- 1551 | t98*t1400
- | ^
-Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1584:49:
-
- 1584 | *sx
- | ^
-Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1551:32:
-
- 1551 | t98*t1400
- | ^
-Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:26 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xlda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:26 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp_adiabatic.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_lyp_adiabatic.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_vwn.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F xc_vwn.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_perdew_zunger.F:614:69:
-
- 614 | tzz, tzzz
- | ^
-note: 'tzzz' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_perdew_zunger.F:614:63:
-
- 614 | tzz, tzzz
- | ^
-Warning: 'tzz' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_pbe.F:1684:31:
-
- 1684 | t101 = beta*t100
- | ^
-Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_pbe.F:1516:25:
-
- 1516 | kf_brhobrhob, mu
- | ^
-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 May 3 07:30:26 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_vwn.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_vwn.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:513: update target 'xc_tpss.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_tpss.F xc_tpss.F90
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:557:43:
-
- 557 | t132 = 0.40e1_dp*t1*t129*t10
- | ^
-Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:454:79:
-
- 454 | REAL(KIND=dp) :: cf, my_ndrho, my_ndrhoa, my_ndrhob, my_rhoa, my_rhob, t1, t10, t100, t102, &
- | ^
-note: 't1' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:616:103:
-
- 616 | t300 - 0.1111111111e0_dp*t115*t188)
- | ^
-Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:454:84:
-
- 454 | REAL(KIND=dp) :: cf, my_ndrho, my_ndrhoa, my_ndrhob, my_rhoa, my_rhob, t1, t10, t100, t102, &
- | ^
-note: 't10' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:596:66:
-
- 596 | t246 = 0.2e1_dp/0.3e1_dp*t14*t17*t216*t225*t67*t103
- | ^
-Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:455:13:
-
- 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, &
- | ^
-note: 't103' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:653:132:
-
- 653 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp))
- | ^
-Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:455:25:
-
- 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, &
- | ^
-note: 't108' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:640:132:
-
- 640 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355))
- | ^
-Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:455:31:
-
- 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, &
- | ^
-note: 't113' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:640:132:
-
- 640 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355))
- | ^
-Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:455:37:
-
- 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, &
- | ^
-note: 't115' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:628:108:
-
- 628 | - t300 - 0.1111111111e0_dp*t115*t316)
- | ^
-Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:455:43:
-
- 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, &
- | ^
-note: 't118' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:616:103:
-
- 616 | t300 - 0.1111111111e0_dp*t115*t188)
- | ^
-Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:455:49:
-
- 455 | t103, t106, t108, t113, t115, t118, t119, t124, t125, t128, t129, t132, t135, t138, t14, &
- | ^
-note: 't119' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:568:29:
-
- 568 | t162 = t15*t76
- | ^
-Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:456:42:
-
- 456 | t140, t141, t143, t145, t146, t15, t151, t153, t157, t16, t162, t165, t169, t17, t171, &
- | ^
-note: 't15' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:596:66:
-
- 596 | t246 = 0.2e1_dp/0.3e1_dp*t14*t17*t216*t225*t67*t103
- | ^
-Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:456:88:
-
- 456 | t140, t141, t143, t145, t146, t15, t151, t153, t157, t16, t162, t165, t169, t17, t171, &
- | ^
-note: 't17' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:616:103:
-
- 616 | t300 - 0.1111111111e0_dp*t115*t188)
- | ^
-Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:457:24:
-
- 457 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, &
- | ^
-note: 't18' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:650:103:
-
- 650 | t421 = REAL(2*t25*t41*my_ndrho, dp) - 0.1333333333e1_dp*REAL(t19, dp)*REAL(my_ndrho, dp)
- | ^
-Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:457:53:
-
- 457 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, &
- | ^
-note: 't19' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:581:46:
-
- 581 | t194 = 0.1333333333e1_dp*t2*t42
- | ^
-Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:457:75:
-
- 457 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, &
- | ^
-note: 't2' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:590:71:
-
- 590 | t220 = 0.26666666666666666667e1_dp*t74/t21/t19*t216*t103
- | ^
-Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:457:92:
-
- 457 | t174, t179, t18, t183, t186, t187, t188, t19, t194, t196, t199, t2, t200, t202, t21, &
- | ^
-note: 't21' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:640:132:
-
- 640 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355))
- | ^
-Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:458:48:
-
- 458 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, &
- | ^
-note: 't23' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:616:103:
-
- 616 | t300 - 0.1111111111e0_dp*t115*t188)
- | ^
-Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:458:65:
-
- 458 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, &
- | ^
-note: 't24' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:650:103:
-
- 650 | t421 = REAL(2*t25*t41*my_ndrho, dp) - 0.1333333333e1_dp*REAL(t19, dp)*REAL(my_ndrho, dp)
- | ^
-Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:458:76:
-
- 458 | t212, t216, t220, t222, t223, t225, t23, t231, t237, t24, t246, t25, t250, t259, t26, &
- | ^
-note: 't25' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:587:132:
-
- 587 | *my_rhoa + t196)*t48 + t200*t47
- | ^
-Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:459:41:
-
- 459 | t266, t27, t270, t273, t276, t28, t280, t285, t288, t294, t3, t30, t300, t307, t31, t316, &
- | ^
-note: 't28' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:642:34:
-
- 642 | t387 = t3*my_ndrhob
- | ^
-Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:459:69:
-
- 459 | t266, t27, t270, t273, t276, t28, t280, t285, t288, t294, t3, t30, t300, t307, t31, t316, &
- | ^
-note: 't3' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:624:67:
-
- 624 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47
- | ^
-Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:460:12:
-
- 460 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42
- | ^
-note: 't32' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:650:103:
-
- 650 | t421 = REAL(2*t25*t41*my_ndrho, dp) - 0.1333333333e1_dp*REAL(t19, dp)*REAL(my_ndrho, dp)
- | ^
-Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:460:68:
-
- 460 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42
- | ^
-note: 't41' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:607:26:
-
- 607 | *t42
- | ^
-Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:460:73:
-
- 460 | t32, t325, t348, t351, t355, t362, t387, t39, t394, t4, t41, t42
- | ^
-note: 't42' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:636:61:
-
- 636 | *t355) + REAL(2*t65*my_ndrhoa, dp)
- | ^
-Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:32:
-
- 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
- | ^
-note: 't46' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:624:67:
-
- 624 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47
- | ^
-Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:37:
-
- 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
- | ^
-note: 't47' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:624:67:
-
- 624 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47
- | ^
-Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:42:
-
- 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
- | ^
-note: 't48' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:610:26:
-
- 610 | *t49
- | ^
-Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:47:
-
- 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
- | ^
-note: 't49' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:569:32:
-
- 569 | t165 = t5*t76*t10
- | ^
-Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:51:
-
- 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
- | ^
-note: 't5' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:636:61:
-
- 636 | *t355) + REAL(2*t65*my_ndrhoa, dp)
- | ^
-Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:56:
-
- 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
- | ^
-note: 't51' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:612:60:
-
- 612 | /0.3e1_dp*t285)*t55
- | ^
-Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:61:
-
- 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
- | ^
-note: 't55' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:624:67:
-
- 624 | *t48 + (t199 - 0.6666666667e0_dp*my_rhob)*t47
- | ^
-Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:66:
-
- 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
- | ^
-note: 't58' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:558:41:
-
- 558 | t135 = 0.1e1_dp/t6/t19*t78
- | ^
-Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:70:
-
- 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
- | ^
-note: 't6' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:644:61:
-
- 644 | *t387) + REAL(2*t63*my_ndrhob, dp)
- | ^
-Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:80:
-
- 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
- | ^
-note: 't63' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:636:61:
-
- 636 | *t355) + REAL(2*t65*my_ndrhoa, dp)
- | ^
-Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:85:
-
- 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
- | ^
-note: 't65' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:596:66:
-
- 596 | t246 = 0.2e1_dp/0.3e1_dp*t14*t17*t216*t225*t67*t103
- | ^
-Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:461:90:
-
- 461 | REAL(KIND=dp) :: t421, t46, t47, t48, t49, t5, t51, t55, t58, t6, t62, t63, t65, t67, t7, &
- | ^
-note: 't67' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:653:132:
-
- 653 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp))
- | ^
-Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:12:
-
- 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
- | ^
-note: 't73' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:590:71:
-
- 590 | t220 = 0.26666666666666666667e1_dp*t74/t21/t19*t216*t103
- | ^
-Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:17:
-
- 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
- | ^
-note: 't74' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:602:31:
-
- 602 | t276 = d*t76*t10
- | ^
-Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:22:
-
- 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
- | ^
-note: 't76' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:589:37:
-
- 589 | t216 = 0.1e1_dp/t77/t9
- | ^
-Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:27:
-
- 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
- | ^
-note: 't77' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:603:42:
-
- 603 | t280 = t102*t169*t78*lambda
- | ^
-Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:32:
-
- 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
- | ^
-note: 't78' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:628:108:
-
- 628 | - t300 - 0.1111111111e0_dp*t115*t316)
- | ^
-Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:37:
-
- 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
- | ^
-note: 't80' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:566:38:
-
- 566 | t153 = 0.1e1_dp/t21/t84
- | ^
-Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:47:
-
- 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
- | ^
-note: 't84' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:616:103:
-
- 616 | t300 - 0.1111111111e0_dp*t115*t188)
- | ^
-Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:57:
-
- 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
- | ^
-note: 't86' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:594:59:
-
- 594 | t231 = t14*t223*t225*lambda*t17*t87/0.3e1_dp
- | ^
-Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:62:
-
- 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
- | ^
-note: 't87' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:589:37:
-
- 589 | t216 = 0.1e1_dp/t77/t9
- | ^
-Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:66:
-
- 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
- | ^
-note: 't9' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:616:103:
-
- 616 | t300 - 0.1111111111e0_dp*t115*t188)
- | ^
-Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:71:
-
- 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
- | ^
-note: 't90' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:597:40:
-
- 597 | t250 = 4*t18*t78*t141*t91
- | ^
-Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:76:
-
- 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
- | ^
-note: 't91' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:640:132:
-
- 640 | my_ndrhoa, dp) - 0.2222222222e0_dp*t115*my_rhoa*t355))
- | ^
-Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:81:
-
- 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
- | ^
-note: 't94' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:653:132:
-
- 653 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp))
- | ^
-Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:86:
-
- 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
- | ^
-note: 't95' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:653:132:
-
- 653 | + t18*t90*t421*d - REAL(2*t95*t96*my_rhob*t108*my_ndrho, dp))
- | ^
-Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp_adiabatic.F:462:91:
-
- 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97
- | ^
-note: 't96' was declared here
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tpss.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_tpss.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xbecke88_lr_adiabatic.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F xc_xbecke88_lr_adiabatic.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xpbe_hole_t_c_lr.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F xc_xpbe_hole_t_c_lr.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_b97.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_lr_adiabatic.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xpbe_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_xpbe_hole_t_c_lr.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:803:30:
-
- 803 | t125 = t124*t11
- | ^
-Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:794:28:
-
- 794 | t113 = t16**2
- | ^
-Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:806:29:
-
- 806 | t130 = t27*t96
- | ^
-Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:852:32:
-
- 852 | t206 = -t3 - t146
- | ^
-Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:810:30:
-
- 810 | t136 = t32*t114
- | ^
-Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:815:29:
-
- 815 | t146 = t43*t91
- | ^
-Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:824:29:
-
- 824 | t161 = t5*t160
- | ^
-Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:848:30:
-
- 848 | t203 = t51*t202
- | ^
-Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:847:26:
-
- 847 | t144
- | ^
-Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:838:30:
-
- 838 | t184 = t183*t55
- | ^
-Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:700:77:
-
- 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-2024.2/src/xc/xc_vwn.F:829:28:
-
- 829 | t172 = t59**2
- | ^
-Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:847:26:
-
- 847 | t144
- | ^
-Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:839:30:
-
- 839 | t187 = t69*t160
- | ^
-Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:843:30:
-
- 843 | t193 = t74*t173
- | ^
-Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:847:26:
-
- 847 | t144
- | ^
-Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:855:30:
-
- 855 | t213 = t212*t85
- | ^
-Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:705:36:
-
- 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, &
- | ^
-note: 't85' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:857:75:
-
- 857 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc
- | ^
-Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:973:31:
-
- 973 | t413 = t412*t101
- | ^
-Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:883:32:
-
- 883 | *t102*t231
- | ^
-Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:929:60:
-
- 929 | *t325*t287)*t38)
- | ^
-Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:889:31:
-
- 889 | t259 = t108*t258
- | ^
-Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:684:32:
-
- 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, &
- | ^
-note: 't108' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:955:31:
-
- 955 | t377 = t376*t109
- | ^
-Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:929:60:
-
- 929 | *t325*t287)*t38)
- | ^
-Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:684:49:
-
- 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, &
- | ^
-note: 't110' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:898:29:
-
- 898 | t279 = t113**2
- | ^
-Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:896:31:
-
- 896 | t273 = t115*t245
- | ^
-Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:929:60:
-
- 929 | *t325*t287)*t38)
- | ^
-Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:684:73:
-
- 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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:902:29:
-
- 902 | t284 = t119**2
- | ^
-Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:897:31:
-
- 897 | t276 = t231*t120
- | ^
-Warning: 't120' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:905:30:
-
- 905 | t291 = t124*t96
- | ^
-Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:913:43:
-
- 913 | t302*t237 - t130*t251
- | ^
-Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:909:31:
-
- 909 | t299 = t126*t230
- | ^
-Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:993:67:
-
- 993 | *t443*t408)*t80) - t332
- | ^
-Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:31:
-
- 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-2024.2/src/xc/xc_vwn.F:913:43:
-
- 913 | t302*t237 - t130*t251
- | ^
-Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:916:31:
-
- 916 | t310 = t132*t309
- | ^
-Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:43:
-
- 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-2024.2/src/xc/xc_vwn.F:914:31:
-
- 914 | t307 = t306*t133
- | ^
-Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:49:
-
- 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, &
- | ^
-note: 't133' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:929:60:
-
- 929 | *t325*t287)*t38)
- | ^
-Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:920:31:
-
- 920 | t319 = t136*t245
- | ^
-Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:61:
-
- 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, &
- | ^
-note: 't136' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:929:60:
-
- 929 | *t325*t287)*t38)
- | ^
-Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:995:35:
-
- 995 | t455 = 0.2e1_dp*t144
- | ^
-Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:78:
-
- 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-2024.2/src/xc/xc_vwn.F:1001:30:
-
- 1001 | t461 = t145*t43
- | ^
-Warning: 't145' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:84:
-
- 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-2024.2/src/xc/xc_vwn.F:1000:31:
-
- 1000 | t458 = t333*t147
- | ^
-Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:685:96:
-
- 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, &
- | ^
-note: 't147' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1003:30:
-
- 1003 | t467 = t150*t43
- | ^
-Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:18:
-
- 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-2024.2/src/xc/xc_vwn.F:1002:31:
-
- 1002 | t464 = t342*t151
- | ^
-Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:24:
-
- 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-2024.2/src/xc/xc_vwn.F:940:31:
-
- 940 | t351 = t154*t202
- | ^
-Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:30:
-
- 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-2024.2/src/xc/xc_vwn.F:1010:48:
-
- 1010 | + t213)*sc
- | ^
-Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:36:
-
- 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-2024.2/src/xc/xc_vwn.F:954:32:
-
- 954 | *t161*t373
- | ^
-Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:42:
-
- 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, &
- | ^
-note: 't156' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:946:39:
-
- 946 | t363 = 0.1e1_dp/t159/t54
- | ^
-Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:972:31:
-
- 972 | t412 = t183*t160
- | ^
-Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:954:32:
-
- 954 | *t161*t373
- | ^
-Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:65:
-
- 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-2024.2/src/xc/xc_vwn.F:951:32:
-
- 951 | *t162*t231
- | ^
-Warning: 't162' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:71:
-
- 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-2024.2/src/xc/xc_vwn.F:993:67:
-
- 993 | *t443*t408)*t80) - t332
- | ^
-Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:77:
-
- 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-2024.2/src/xc/xc_vwn.F:956:31:
-
- 956 | t380 = t168*t258
- | ^
-Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:83:
-
- 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-2024.2/src/xc/xc_vwn.F:993:67:
-
- 993 | *t443*t408)*t80) - t332
- | ^
-Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:89:
-
- 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-2024.2/src/xc/xc_vwn.F:965:29:
-
- 965 | t400 = t172**2
- | ^
-Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:686:95:
-
- 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-2024.2/src/xc/xc_vwn.F:963:31:
-
- 963 | t394 = t174*t245
- | ^
-Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:993:67:
-
- 993 | *t443*t408)*t80) - t332
- | ^
-Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:969:29:
-
- 969 | t405 = t178**2
- | ^
-Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:37:
-
- 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-2024.2/src/xc/xc_vwn.F:964:31:
-
- 964 | t397 = t231*t179
- | ^
-Warning: 't179' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:43:
-
- 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-2024.2/src/xc/xc_vwn.F:972:31:
-
- 972 | t412 = t183*t160
- | ^
-Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:55:
-
- 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, &
- | ^
-note: 't183' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:977:43:
-
- 977 | t420*t365 - t187*t373
- | ^
-Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:977:43:
-
- 977 | t420*t365 - t187*t373
- | ^
-Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:67:
-
- 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-2024.2/src/xc/xc_vwn.F:980:31:
-
- 980 | t428 = t189*t427
- | ^
-Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:687:73:
-
- 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-2024.2/src/xc/xc_vwn.F:978:31:
-
- 978 | t425 = t424*t190
- | ^
-Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:993:67:
-
- 993 | *t443*t408)*t80) - t332
- | ^
-Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:984:31:
-
- 984 | t437 = t193*t245
- | ^
-Warning: 't193' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:993:67:
-
- 993 | *t443*t408)*t80) - t332
- | ^
-Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:688:13:
-
- 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-2024.2/src/xc/xc_vwn.F:1007:31:
-
- 1007 | t472 = t212*t202
- | ^
-Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1011:29:
-
- 1011 | t475 = t206**2
- | ^
-Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:1013:29:
-
- 1013 | t482 = t209**2
- | ^
-Warning: 't209' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:1007:31:
-
- 1007 | t472 = t212*t202
- | ^
-Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:1020:102:
-
- 1020 | e_bb(ip) = e_bb(ip) + ((t332 + t489 + t490 + t452)*t2 + t455 + 0.2e1_dp*t213 + t457)*sc
- | ^
-Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:688:58:
-
- 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-2024.2/src/xc/xc_vwn.F:944:30:
-
- 944 | t356 = t88*t160
- | ^
-Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:886:31:
-
- 886 | *t97*t251
- | ^
-Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:705:87:
-
- 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, &
- | ^
-note: 't89' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:871:37:
-
- 871 | t230 = 0.1e1_dp/t90/t2
- | ^
-Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:958:30:
-
- 958 | t382 = t381*t91
- | ^
-Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:945:30:
-
- 945 | t357 = t92*t165
- | ^
-Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:905:30:
-
- 905 | t291 = t124*t96
- | ^
-Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:886:31:
-
- 886 | *t97*t251
- | ^
-Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1118:36:
-
- 1118 | t808 = t216*t160*t807
- | ^
-Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:1033:31:
-
- 1033 | t510 = t217*t509
- | ^
-Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1197:50:
-
- 1197 | + t489)*sc
- | ^
-Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:688:94:
-
- 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, &
- | ^
-note: 't221' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1117:31:
-
- 1117 | t807 = t222*t165
- | ^
-Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:1099:40:
-
- 1099 | *bp*t625*t565*t559
- | ^
-Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:1099:40:
-
- 1099 | *bp*t625*t565*t559
- | ^
-Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:689:31:
-
- 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240
- | ^
-note: 't226' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1197:50:
-
- 1197 | + t489)*sc
- | ^
-Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:1121:31:
-
- 1121 | t820 = t231*t165
- | ^
-Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:689:43:
-
- 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240
- | ^
-note: 't231' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1099:40:
-
- 1099 | *bp*t625*t565*t559
- | ^
-Warning: 't235' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:689:49:
-
- 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240
- | ^
-note: 't235' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1099:40:
-
- 1099 | *bp*t625*t565*t559
- | ^
-Warning: 't236' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:1040:31:
+note: 't236' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1040:31:
1040 | t528 = t237*t105
| ^
@@ -17532,22 +13070,97 @@
698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, &
| ^
note: 't490' 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 May 3 07:30:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_b97.F90
-/build/reproducible-path/cp2k-2024.2/src/pw/ps_implicit_methods.F:434:57:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_zunger.F:695:58:
- 434 | ps_implicit_env%ehartree = ehartree/vol_scfac
- | ^
-Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/pw/ps_implicit_methods.F:339:69:
+ 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-2024.2/src/xc/xc_perdew_zunger.F:613:78:
- 339 | vol_scfac
+ 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, &
+ | ^
+note: 'trrr' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_perdew_zunger.F:614:69:
+
+ 614 | tzz, tzzz
| ^
-note: 'vol_scfac' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_hcth.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_hcth.F xc_hcth.F90
+note: 'tzzz' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_perdew_zunger.F:614:63:
+
+ 614 | tzz, tzzz
+ | ^
+Warning: 'tzz' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xlda_hole_t_c_lr.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F 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="\"Tue Apr 1 03:41:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xalpha.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_xalpha.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xpbe_hole_t_c_lr.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xlda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_xlda_hole_t_c_lr.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xwpbe.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_hcth.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xpbe_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_xpbe_hole_t_c_lr.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xbecke88_long_range.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F xc_xbecke88_long_range.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_vwn.F:1397:29:
1397 | t132 = t1*t131
@@ -17673,11 +13286,6 @@
1507 | t306 = t13*t305
| ^
Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:1248:32:
1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344
@@ -18058,176 +13666,6 @@
1801 | t772 = t125*t133
| ^
Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1248:56:
1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344
@@ -18318,11 +13756,6 @@
1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc
| ^
Warning: 't148' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:1251:46:
1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, &
@@ -18343,11 +13776,6 @@
1579 | *t156*t399
| ^
Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:1251:91:
1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, &
@@ -18358,11 +13786,6 @@
1706 | t611 = t151*t269
| ^
Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:1252:20:
1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, &
@@ -18488,11 +13911,6 @@
1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, &
| ^
note: 't174' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:1622:54:
1622 | t473*t435)*t51
@@ -18858,11 +14276,6 @@
1671 | t560*t505 - t239*t513
| ^
Warning: 't239' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_vwn.F:1264:84:
1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, &
@@ -18913,21 +14326,11 @@
1687 | *t583*t548)*t86)*t91
| ^
Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:2159:52:
2159 | t1730 = 0.160e2_dp*t755*t756*t252*t91
@@ -18968,11 +14371,6 @@
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-2024.2/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-2024.2/src/xc/xc_vwn.F:1816:90:
1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc
@@ -19058,46 +14456,21 @@
1712 | *t266*t379
| ^
Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1754:62:
1754 | *t697*t662)*t122)
| ^
Warning: 't269' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1717:31:
1717 | t634 = t272*t406
@@ -19108,136 +14481,46 @@
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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1754:62:
1754 | *t697*t662)*t122)
| ^
Warning: 't273' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1726:29:
1726 | t654 = t276**2
| ^
Warning: 't276' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1724:31:
1724 | t648 = t278*t393
| ^
Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1754:62:
1754 | *t697*t662)*t122)
| ^
Warning: 't279' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1731:40:
1731 | t661 = 0.1e1_dp/t659*t280
@@ -19248,146 +14531,56 @@
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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1730:29:
1730 | t659 = t282**2
| ^
Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1725:31:
1725 | t651 = t379*t283
| ^
Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1733:31:
1733 | t666 = t287*t264
| ^
Warning: 't287' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1738:43:
1738 | t674*t619 - t291*t627
| ^
Warning: 't288' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1738:43:
1738 | t674*t619 - t291*t627
| ^
Warning: 't291' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1741:31:
1741 | t682 = t293*t681
@@ -19398,416 +14591,156 @@
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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1739:31:
1739 | t679 = t678*t294
| ^
Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1754:62:
1754 | *t697*t662)*t122)
| ^
Warning: 't295' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1745:31:
1745 | t691 = t297*t393
| ^
Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1754:62:
1754 | *t697*t662)*t122)
| ^
Warning: 't298' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1809:31:
1809 | t783 = t305*t309
| ^
Warning: 't305' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1824:31:
1824 | t804 = t732*t309
| ^
Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1819:29:
1819 | t796 = t312**2
| ^
Warning: 't312' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1773:31:
1773 | t732 = t315*t142
| ^
Warning: 't315' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1808:31:
1808 | t782 = t316*t305
| ^
Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1796:31:
1796 | t764 = t317*t254
| ^
Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1779:31:
1779 | t743 = t320*t202
| ^
Warning: 't320' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1793:31:
1793 | t762 = t322*t254
| ^
Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_vwn.F:1856:88:
1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc
@@ -22288,338 +17221,1144 @@
1290 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864
| ^
note: 't834' was declared here
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xwpbe.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_xwpbe.F90
-/build/reproducible-path/cp2k-2024.2/src/pw/ps_implicit_methods.F:1214:87:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_long_range.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_xbecke88_long_range.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:288:102:
- 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-2024.2/src/pw/ps_implicit_methods.F:1101:82:
+ 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx
+ | ^
+Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:242:62:
- 1101 | REAL(dp) :: tile_volume, vol_scfac
- | ^
-note: 'vol_scfac' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:647:49:
+ 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, &
+ | ^
+note: 't1' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:288:102:
- 647 | - 0.9e1_dp/0.4e1_dp*t22*t265*t248
- | ^
+ 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx
+ | ^
Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:477:47:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:242:72:
- 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, &
- | ^
+ 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, &
+ | ^
note: 't14' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:288:102:
- 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q)
- | ^
-Warning: 'p' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:475:24:
+ 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx
+ | ^
+Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:242:77:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75:
+ 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, &
+ | ^
+note: 't15' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:288:102:
- 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q)
- | ^
-Warning: 'q' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:475:41:
+ 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx
+ | ^
+Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:242:86:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
+ 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, &
+ | ^
+note: 't2' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:288:102:
- 761 | Clda)*sx
- | ^
-Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:488:18:
+ 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx
+ | ^
+Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:243:68:
- 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716
- | ^
-note: 't64' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
+ 243 | t24, t25, t3, t32, t33, t36, t4, t41, &
+ | ^
+note: 't25' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:288:102:
- 761 | Clda)*sx
- | ^
-Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:484:44:
+ 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx
+ | ^
+Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:243:77:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
+ 243 | t24, t25, t3, t32, t33, t36, t4, t41, &
+ | ^
+note: 't32' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:288:102:
- 761 | Clda)*sx
- | ^
-Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:477:13:
+ 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx
+ | ^
+Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:244:67:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
+ 244 | t46, t5, t6, t62, t64, t67, t68, t7, &
+ | ^
+note: 't5' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:288:102:
- 761 | Clda)*sx
- | ^
-Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:483:81:
+ 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx
+ | ^
+Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:244:71:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
+ 244 | t46, t5, t6, t62, t64, t67, t68, t7, &
+ | ^
+note: 't6' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:288:102:
- 761 | Clda)*sx
- | ^
-Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:477:25:
+ 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx
+ | ^
+Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:244:86:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
+ 244 | t46, t5, t6, t62, t64, t67, t68, t7, &
+ | ^
+note: 't67' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:288:102:
- 761 | Clda)*sx
- | ^
-Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:477:59:
+ 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx
+ | ^
+Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:244:91:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
+ 244 | t46, t5, t6, t62, t64, t67, t68, t7, &
+ | ^
+note: 't68' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:288:102:
- 761 | Clda)*sx
- | ^
-Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:477:42:
+ 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx
+ | ^
+Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:244:95:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
+ 244 | t46, t5, t6, t62, t64, t67, t68, t7, &
+ | ^
+note: 't7' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:288:102:
- 761 | Clda)*sx
- | ^
-Warning: 't163' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:478:31:
+ 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx
+ | ^
+Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xlda_hole_t_c_lr.F:245:72:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
+ 245 | t82, t86, t9, t91, t95
+ | ^
+note: 't9' 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="\"Tue Apr 1 03:41:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xwpbe.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_xwpbe.F90
+/build/reproducible-path/cp2k-2024.2/src/pw/ps_implicit_methods.F:434:57:
- 761 | Clda)*sx
- | ^
-Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:478:37:
+ 434 | ps_implicit_env%ehartree = ehartree/vol_scfac
+ | ^
+Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/pw/ps_implicit_methods.F:339:69:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
+ 339 | vol_scfac
+ | ^
+note: 'vol_scfac' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_perdew_wang.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F xc_perdew_wang.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50:
- 761 | Clda)*sx
- | ^
-Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:476:54:
+ 1084 | *t155)*Clda)*sx
+ | ^
+Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:842:86:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
+ 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34:
- 761 | Clda)*sx
+ 1052 | Clda)*sx
| ^
-Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:479:36:
+Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:842:92:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:718:29:
+ 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:959:23:
- 718 | t581 = t64*t118*t103
- | ^
-Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:475:86:
+ 959 | t183 = t12*t11
+ | ^
+Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:842:97:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:720:25:
+ 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50:
- 720 | t603 = t437*t105
- | ^
-Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:476:13:
+ 1084 | *t155)*Clda)*sx
+ | ^
+Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:843:13:
- 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, &
+ 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, &
| ^
-note: 't105' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:661:30:
+note: 't110' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34:
- 661 | t314 = t312*t106*t107
- | ^
-Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:476:19:
+ 1052 | Clda)*sx
+ | ^
+Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:843:19:
- 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, &
+ 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, &
| ^
-note: 't106' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:702:25:
+note: 't113' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34:
- 702 | t473 = t424*t107
- | ^
-Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:476:25:
+ 1052 | Clda)*sx
+ | ^
+Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:843:25:
- 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, &
+ 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, &
| ^
-note: 't107' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:704:30:
+note: 't115' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50:
- 704 | t479 = t108*t429*t331
- | ^
-Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:476:31:
+ 1084 | *t155)*Clda)*sx
+ | ^
+Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:843:37:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:816:81:
+ 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34:
- 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx
- | ^
-Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:476:37:
+ 1052 | Clda)*sx
+ | ^
+Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:843:43:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:675:23:
+ 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:993:28:
- 675 | t373 = t73*t11
- | ^
-Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:476:42:
+ 993 | t272 = t268/t12/t13
+ | ^
+Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:843:48:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
+ 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, &
+ | ^
+note: 't12' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34:
- 761 | Clda)*sx
+ 1052 | Clda)*sx
| ^
-Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:476:48:
+Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:843:54:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:723:25:
+ 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34:
- 723 | t612 = t429*t116
- | ^
-Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:476:60:
+ 1052 | Clda)*sx
+ | ^
+Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:843:66:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:782:25:
+ 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34:
- 782 | t808 = t118*t269
- | ^
-Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:476:72:
+ 1052 | Clda)*sx
+ | ^
+Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:843:72:
- 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, &
+ 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:773:46:
+note: 't127' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:981:24:
- 773 | t409*(t281 - t235*t41*t292))
- | ^
-Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:476:83:
+ 981 | t229 = t13*t225
+ | ^
+Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:843:83:
- 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, &
+ 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:816:81:
+note: 't13' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50:
- 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx
- | ^
-Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:476:89:
+ 1084 | *t155)*Clda)*sx
+ | ^
+Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:843:89:
- 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, &
+ 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, &
| ^
-note: 't121' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
+note: 't130' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34:
- 761 | Clda)*sx
+ 1052 | Clda)*sx
| ^
-Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:476:95:
+Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:843:95:
- 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, &
+ 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, &
| ^
-note: 't123' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:649:24:
+note: 't133' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50:
- 649 | t273 = t13*t269
- | ^
-Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:477:30:
+ 1084 | *t155)*Clda)*sx
+ | ^
+Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:844:13:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
+ 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34:
- 761 | Clda)*sx
+ 1052 | Clda)*sx
| ^
-Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:477:36:
+Warning: 't138' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:844:19:
- 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
+ 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50:
- 761 | Clda)*sx
+ 1084 | *t155)*Clda)*sx
+ | ^
+Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:477:53:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:844:30:
- 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, &
- | ^
+ 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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:513: update target 'xc_ke_gga.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_wang.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_perdew_wang.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xpbe_hole_t_c_lr.F:761:34:
761 | Clda)*sx
| ^
@@ -23179,8667 +18918,4532 @@
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-2024.2/Makefile:513: update target 'xc_xalpha.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_xalpha.F xc_xalpha.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_pade.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xalpha.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pade.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_pade.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_optx.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:594:39:
-
- 594 | t306 = 0.1e1_dp/t10/t224
- | ^
-Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:273:83:
-
- 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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:48:
-
- 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
- | ^
-note: 't102' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:605:39:
-
- 605 | t326 = 0.1e1_dp/t103/t35
- | ^
-Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:75:
-
- 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
- | ^
-note: 't103' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:20:
-
- 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
- | ^
-note: 't104' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:747:31:
-
- 747 | t646 = t105*t645
- | ^
-Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:47:
-
- 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
- | ^
-note: 't105' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1462:31:
+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="\"Tue Apr 1 03:41:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_ke_gga.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_ke_gga.F90
+/build/reproducible-path/cp2k-2024.2/src/pw/ps_implicit_methods.F:1214:87:
- 1462 | t2204 = t10*t106
- | ^
-Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:95:
+ 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-2024.2/src/pw/ps_implicit_methods.F:1101:82:
- 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
- | ^
-note: 't106' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:746:73:
+ 1101 | REAL(dp) :: tile_volume, vol_scfac
+ | ^
+note: 'vol_scfac' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:418:69:
- 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:276:48:
+ 418 | t117*t118*t172 + 0.3333333334e0_dp*t36*t38*t196
+ | ^
+Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:267:78:
- 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, &
- | ^
-note: 't107' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:741:45:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:406:67:
- 741 | t635 = -4*t108 + 4*t332*my_rho
- | ^
-Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:276:75:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:267:83:
- 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, &
- | ^
-note: 't108' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:738:30:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:408:59:
- 738 | t624 = beta*t11
- | ^
+ 408 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169
+ | ^
Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:33:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:268:77:
- 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
- | ^
+ 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, &
+ | ^
note: 't11' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:81:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:406:67:
- 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
- | ^
-note: 't112' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:620:81:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:269:86:
- 620 | t360 = 0.28e2_dp/0.3e1_dp*t122*t114 - 0.28e2_dp/0.3e1_dp*t356*t357
- | ^
-Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:41:
+ 269 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, &
+ | ^
+note: 't12' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:355:27:
- 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
- | ^
-note: 't114' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1188:50:
+ 355 | t75 = t16**2
+ | ^
+Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:272:50:
- 1188 | t1636 = 0.5600000000e2_dp*t624*t115
+ 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, &
| ^
-Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:75:
+note: 't16' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:354:28:
- 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
- | ^
-note: 't115' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:746:73:
+ 354 | t72 = t71*t17
+ | ^
+Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:272:67:
- 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:95:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:408:59:
- 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
- | ^
-note: 't116' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:631:32:
+ 408 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169
+ | ^
+Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:272:96:
- 631 | *t366*t372
- | ^
-Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:279:48:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:578:29:
- 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193
- | ^
-note: 't119' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:596:28:
+ 578 | t576 = t2*t501
+ | ^
+Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:273:35:
- 596 | t308 = t12**2
+ 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213
+ | ^
+note: 't2' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:382:28:
+
+ 382 | t126 = t21**2
| ^
-Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:280:33:
+Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:273:52:
- 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, &
- | ^
-note: 't12' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:620:81:
+ 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213
+ | ^
+note: 't21' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:351:37:
- 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:280:88:
+ 351 | t68 = my_rho*t22*omega
+ | ^
+Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:274:38:
- 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, &
- | ^
-note: 't122' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:372:34:
- 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368
- | ^
-Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:20:
+ 372 | t104 = 0.1e1_dp/t23
+ | ^
+Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:274:67:
- 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
- | ^
-note: 't123' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:746:73:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:404:74:
- 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371
- | ^
-Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:68:
+ 404 | 0.2222222224e0_dp*t24*t98*t155)*sx
+ | ^
+Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:275:12:
- 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
- | ^
-note: 't126' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:809:44:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:373:30:
- 809 | t796 = 0.1e1_dp/t787/t13*t795
- | ^
-Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:33:
+ 373 | t105 = t28*t104
+ | ^
+Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:18:
- 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
- | ^
-note: 't13' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:626:40:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:378:31:
- 626 | t371 = 0.1e1_dp/t131/t130
- | ^
-Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:39:
+ 378 | t116 = omega*t29
+ | ^
+Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:47:
- 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
- | ^
-note: 't130' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:626:40:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:406:67:
- 626 | t371 = 0.1e1_dp/t131/t130
- | ^
-Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:73:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:276:63:
- 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
- | ^
-note: 't131' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:746:73:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:376:26:
- 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371
- | ^
-Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:86:
+ 376 | t109
+ | ^
+Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:68:
- 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
- | ^
-note: 't132' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:746:73:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:376:26:
- 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371
- | ^
-Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:13:
+ 376 | t109
+ | ^
+Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:79:
- 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
- | ^
-note: 't133' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:604:31:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:401:26:
- 604 | t322 = t316*t136
- | ^
-Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:47:
+ 401 | t151
+ | ^
+Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:278:24:
- 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
- | ^
-note: 't136' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:750:49:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:386:28:
- 750 | *t615 - 0.20e1_dp*t102*t646
- | ^
-Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:74:
+ 386 | t132 = pi*t37
+ | ^
+Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:278:41:
- 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
- | ^
-note: 't137' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:401:26:
- 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264
- | ^
-Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:284:47:
+ 401 | t151
+ | ^
+Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:278:58:
- 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, &
- | ^
-note: 't14' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:783:70:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:390:29:
- 783 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735
- | ^
-Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:284:53:
+ 390 | t137 = t39*t94
+ | ^
+Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:278:81:
- 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, &
- | ^
-note: 't140' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:714:98:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:384:30:
- 714 | t46*t541))*sx
- | ^
-Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:284:87:
+ 384 | t128 = t40*t127
+ | ^
+Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:12:
- 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, &
- | ^
-note: 't141' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:714:98:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:416:59:
- 714 | t46*t541))*sx
- | ^
-Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:83:
+ 416 | *t52 - 0.5000000001e0_dp*t41*t172*t46
+ | ^
+Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:47:
- 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
- | ^
-note: 't144' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:641:31:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:387:30:
- 641 | t393 = t392*t149
- | ^
-Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:287:76:
+ 387 | t133 = t42*t132
+ | ^
+Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:76:
- 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, &
+ 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, &
| ^
-note: 't149' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:656:32:
+note: 't42' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:385:34:
- 656 | t428 = omega*t150
- | ^
-Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:288:25:
+ 385 | t130 = t128*t43*t94
+ | ^
+Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:93:
- 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, &
- | ^
-note: 't150' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:647:30:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:371:49:
- 647 | t405 = t151*t44
- | ^
-Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:288:80:
+ 371 | t103 = EXP(-0.9000000000e1_dp*t44)
+ | ^
+Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:280:18:
- 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, &
- | ^
-note: 't151' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:654:35:
+ 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
+ | ^
+note: 't44' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:416:59:
- 654 | *t49*t245*t25
- | ^
-Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:290:55:
+ 416 | *t52 - 0.5000000001e0_dp*t41*t172*t46
+ | ^
+Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:280:47:
- 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, &
- | ^
-note: 't155' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:654:35:
+ 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
+ | ^
+note: 't46' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:398:58:
- 654 | *t49*t245*t25
- | ^
-Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:290:89:
+ 398 | *t143 - 0.5555555558e-1_dp*t146*t148
+ | ^
+Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:281:44:
- 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, &
- | ^
-note: 't156' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:561:28:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:395:30:
- 561 | t224 = t9*t16
- | ^
-Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:292:89:
+ 395 | t147 = t49*t135
+ | ^
+Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:281:96:
- 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, &
- | ^
-note: 't16' was declared here
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_optx.F xc_optx.F90
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:642:31:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:359:31:
- 642 | t394 = t393*t160
+ 359 | t84 = 1 + t5*t10
| ^
-Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:783:70:
-
- 783 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735
- | ^
-Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:293:55:
+Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:23:
- 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613
- | ^
-note: 't161' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:661:31:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:393:34:
- 661 | t445 = t164*t444
- | ^
-Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:295:62:
+ 393 | t143 = t48*t141*t51
+ | ^
+Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:52:
- 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, &
- | ^
-note: 't164' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:708:26:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:416:59:
- 708 | t537
- | ^
-Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:296:20:
+ 416 | *t52 - 0.5000000001e0_dp*t41*t172*t46
+ | ^
+Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:75:
- 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, &
- | ^
-note: 't165' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:708:26:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:401:26:
- 708 | t537
+ 401 | t151
| ^
-Warning: 't166' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:296:54:
+Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:283:54:
- 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, &
+ 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, &
| ^
-note: 't166' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:708:26:
-
- 708 | t537
- | ^
-Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:298:19:
-
- 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, &
- | ^
-note: 't17' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:708:26:
+note: 't55' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:726:76:
- 708 | t537
- | ^
-Warning: 't170' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:298:25:
+ 726 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141)
+ | ^
+Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:284:36:
- 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, &
- | ^
-note: 't170' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:708:26:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:365:65:
- 708 | t537
- | ^
-Warning: 't171' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:298:80:
+ 365 | t94 = -0.5333333333e1_dp*t6*t72 - 0.20e1_dp*t6*t91
+ | ^
+Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:284:46:
- 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, &
- | ^
-note: 't171' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:783:70:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:404:74:
- 783 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735
- | ^
-Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:299:41:
+ 404 | 0.2222222224e0_dp*t24*t98*t155)*sx
+ | ^
+Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:284:51:
- 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, &
- | ^
-note: 't172' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:668:30:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:352:30:
- 668 | t470 = t176*t40
+ 352 | t69 = t7*my_rho
| ^
-Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:301:34:
+Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:285:74:
- 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, &
- | ^
-note: 't176' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:764:31:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:391:31:
- 764 | t708 = t707*t177
+ 391 | t140 = t8*my_rho
| ^
-Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:301:89:
+Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:286:67:
- 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, &
- | ^
-note: 't177' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:754:31:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:587:35:
- 754 | t658 = t657*t178
- | ^
-Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:302:41:
+ 587 | *t36*t38*t586
+ | ^
+Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:268:33:
- 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, &
- | ^
-note: 't178' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36:
+ 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, &
+ | ^
+note: 't103' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:460:36:
- 2710 | t5011 + t5001
+ 460 | t289 = omega*t104*t27
| ^
-Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:303:19:
+Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:268:39:
- 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, &
- | ^
-note: 't18' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:679:35:
+ 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, &
+ | ^
+note: 't104' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:587:35:
- 679 | *t61*t262*t25
+ 587 | *t36*t38*t586
| ^
-Warning: 't182' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:303:81:
+Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:268:52:
- 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, &
- | ^
-note: 't182' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:679:35:
+ 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, &
+ | ^
+note: 't105' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:516:66:
- 679 | *t61*t262*t25
- | ^
-Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:304:41:
+ 516 | *t31*t404 - 0.5000000000e0_dp*t105*t109*t172
+ | ^
+Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:268:65:
- 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, &
- | ^
-note: 't183' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:774:30:
+ 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, &
+ | ^
+note: 't109' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:489:68:
- 774 | t732 = t60*t187
- | ^
-Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:305:62:
+ 489 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354
+ | ^
+Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:268:90:
- 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, &
- | ^
-note: 't187' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:682:30:
+ 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, &
+ | ^
+note: 't112' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:545:70:
- 682 | t503 = t189*t67
- | ^
-Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:306:34:
+ 545 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492
+ | ^
+Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:268:96:
- 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, &
- | ^
-note: 't189' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:646:30:
+ 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, &
+ | ^
+note: 't113' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:785:32:
- 646 | t401 = t19*t140
- | ^
-Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:306:67:
+ 785 | t98*t1400
+ | ^
+Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:269:48:
- 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, &
- | ^
-note: 't19' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:700:63:
+ 269 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, &
+ | ^
+note: 't116' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:545:70:
- 700 | *t192*t531 - 0.5555555558e-1_dp*t192*t534
- | ^
-Warning: 't192' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:307:34:
+ 545 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492
+ | ^
+Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:269:68:
- 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925
- | ^
-note: 't192' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:691:36:
+ 269 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, &
+ | ^
+note: 't117' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:489:68:
- 691 | t527 = t194*t187*t526
- | ^
-Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:308:55:
+ 489 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354
+ | ^
+Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:269:81:
- 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, &
- | ^
-note: 't194' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:578:30:
+ 269 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, &
+ | ^
+note: 't118' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:545:70:
- 578 | t271 = t195*t17
- | ^
-Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:308:82:
+ 545 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492
+ | ^
+Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:269:92:
- 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, &
- | ^
-note: 't195' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:778:87:
+ 269 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, &
+ | ^
+note: 't122' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:464:30:
- 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:309:20:
+ 464 | t311 = t126*t21
+ | ^
+Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:270:20:
- 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, &
+ 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, &
| ^
-note: 't196' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:694:31:
-
- 694 | t534 = t199*t267
- | ^
-Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:310:48:
-
- 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, &
- | ^
-note: 't199' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:672:30:
+note: 't126' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:531:30:
- 672 | t474 = t20*t140
+ 531 | t473 = t94*t127
| ^
-Warning: 't20' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:310:74:
+Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:270:26:
- 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, &
- | ^
-note: 't20' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:778:87:
+ 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, &
+ | ^
+note: 't127' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:469:35:
- 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:310:80:
+ 469 | t321 = t128*t43*t258
+ | ^
+Warning: 't128' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:270:32:
- 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, &
- | ^
-note: 't200' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:667:30:
+ 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, &
+ | ^
+note: 't128' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:451:69:
- 667 | t466 = t27*t203
- | ^
-Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:76:
+ 451 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133
+ | ^
+Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:270:45:
- 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
- | ^
-note: 't203' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:638:30:
+ 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, &
+ | ^
+note: 't130' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:523:36:
- 638 | t384 = t45*t207
- | ^
-Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:62:
+ 523 | t460 = t128*t132*t172
+ | ^
+Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:270:51:
- 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
- | ^
-note: 't207' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:684:29:
+ 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, &
+ | ^
+note: 't132' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:451:69:
- 684 | t511 = t22*t70
- | ^
-Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:316:12:
+ 451 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133
+ | ^
+Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:270:57:
- 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, &
- | ^
-note: 't22' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:717:66:
+ 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, &
+ | ^
+note: 't133' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:536:30:
- 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:318:47:
+ 536 | t489 = t41*t135
+ | ^
+Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:270:84:
- 318 | t2287, t2292, t2295, t2296, t2299, t23, t230, t2300, t2304, t2307, t2308, t2311, t2312, &
- | ^
-note: 't23' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:750:49:
+ 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, &
+ | ^
+note: 't135' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:702:68:
- 750 | *t615 - 0.20e1_dp*t102*t646
- | ^
-Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:319:79:
+ 702 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091
+ | ^
+Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:270:90:
- 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, &
- | ^
-note: 't24' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:708:26:
+ 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, &
+ | ^
+note: 't136' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:484:63:
- 708 | t537
- | ^
-Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:320:80:
+ 484 | *t146*t347 - 0.5555555558e-1_dp*t146*t351
+ | ^
+Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:270:96:
- 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, &
- | ^
-note: 't25' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2690:32:
+ 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, &
+ | ^
+note: 't137' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:812:74:
- 2690 | t6267 = t26*t1447
- | ^
-Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:321:47:
+ 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46)
+ | ^
+Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:271:27:
- 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622
- | ^
-note: 't26' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:667:30:
+ 271 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, &
+ | ^
+note: 't140' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:477:35:
- 667 | t466 = t27*t203
- | ^
-Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:322:85:
+ 477 | t343 = t141*t135*t46
+ | ^
+Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:271:54:
- 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, &
- | ^
-note: 't27' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:631:32:
+ 271 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, &
+ | ^
+note: 't141' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:540:82:
- 631 | *t366*t372
- | ^
-Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:326:72:
+ 540 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466
+ | ^
+Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:271:67:
- 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, &
- | ^
-note: 't31' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:605:39:
+ 271 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, &
+ | ^
+note: 't143' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:484:63:
- 605 | t326 = 0.1e1_dp/t103/t35
- | ^
-Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:331:19:
+ 484 | *t146*t347 - 0.5555555558e-1_dp*t146*t351
+ | ^
+Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:271:87:
- 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, &
- | ^
-note: 't35' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:599:37:
+ 271 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, &
+ | ^
+note: 't146' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:709:36:
- 599 | t313 = t311*t36*my_rho
- | ^
-Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:332:94:
+ 709 | t41*t328*t466
+ | ^
+Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:272:13:
- 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, &
- | ^
-note: 't36' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:719:61:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:540:82:
- 719 | t561 = 0.40e1_dp*t24*t37 - 0.20e1_dp*t102*t558
- | ^
-Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:334:19:
+ 540 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466
+ | ^
+Warning: 't148' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:272:26:
- 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, &
- | ^
-note: 't37' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:556:28:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:489:68:
- 556 | t217 = t4*t41
- | ^
-Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:337:65:
+ 489 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354
+ | ^
+Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:272:32:
- 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, &
- | ^
-note: 't4' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:668:30:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:425:30:
- 668 | t470 = t176*t40
+ 425 | t207 = t27*t155
| ^
-Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:337:70:
-
- 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, &
- | ^
-note: 't40' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:643:39:
-
- 643 | t398 = 0.1e1_dp/t41/t176
- | ^
-Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:338:52:
+Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:272:38:
- 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, &
- | ^
-note: 't41' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:637:31:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:498:31:
- 637 | t383 = t42*omega
+ 498 | t377 = t225*t168
| ^
-Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:338:97:
-
- 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, &
- | ^
-note: 't42' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:714:98:
-
- 714 | t46*t541))*sx
- | ^
-Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:714:98:
-
- 714 | t46*t541))*sx
- | ^
-Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:341:84:
-
- 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, &
- | ^
-note: 't46' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:644:30:
-
- 644 | t399 = t47*t398
- | ^
-Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:342:39:
+Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:272:56:
- 342 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707
- | ^
-note: 't47' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:587:38:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:563:41:
- 587 | t289 = my_rho*t48*omega
- | ^
-Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:346:19:
+ 563 | - 0.20e1_dp*t6*t526
+ | ^
+Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:272:62:
- 346 | t4797, t48, t4800, t4801, t4804, t4808, t4812, t4817, t4820, t4829, t4830, t4833, t4834, &
- | ^
-note: 't48' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:654:35:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:587:35:
- 654 | *t49*t245*t25
+ 587 | *t36*t38*t586
| ^
-Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:348:74:
-
- 348 | t4881, t4884, t4887, t4889, t489, t4893, t4895, t4897, t4898, t49, t4901, t4904, t4905, &
- | ^
-note: 't49' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:570:30:
-
- 570 | t245*t17
- | ^
-Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:351:59:
+Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:272:73:
- 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, &
- | ^
-note: 't50' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:714:98:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:550:69:
- 714 | t46*t541))*sx
- | ^
-Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:364:26:
+ 550 | *t24*t98*t496)*sx
+ | ^
+Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:272:79:
- 364 | REAL(KIND=dp) :: t55, t550, t5503, t5507, t5509, t551, t5511, t5516, t5523, t5525, t5528, &
- | ^
-note: 't55' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:674:30:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:587:35:
- 674 | t479 = t56*t140
- | ^
-Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:367:33:
+ 587 | *t36*t38*t586
+ | ^
+Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:272:91:
- 367 | t5593, t5595, t5597, t56, t5600, t5602, t5604, t5607, t561, t5610, t5611, t5613, t5619, &
- | ^
-note: 't56' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:585:27:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:582:64:
- 585 | *t278
- | ^
-Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:370:67:
+ 582 | *t580*t52 - 0.5000000001e0_dp*t41*t529*t46
+ | ^
+Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:273:13:
- 370 | t5686, t5689, t569, t5692, t5695, t5696, t5698, t5699, t57, t5701, t5705
- | ^
-note: 't57' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:767:30:
+ 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213
+ | ^
+note: 't185' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:545:70:
- 767 | t713 = t58*t649
- | ^
-Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:373:53:
+ 545 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492
+ | ^
+Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:273:19:
- 373 | t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, &
- | ^
-note: 't58' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:763:30:
+ 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213
+ | ^
+note: 't186' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:540:82:
- 763 | t707 = t187*t59
- | ^
-Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:376:26:
+ 540 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466
+ | ^
+Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:273:25:
- 376 | t5891, t5898, t59, t590, t5902, t5905, t5908, t5911, t5913, t5918, t5922, t5925, t5926, &
- | ^
-note: 't59' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:622:33:
+ 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213
+ | ^
+note: 't190' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:545:70:
- 622 | t365 = t6*my_ndrho
- | ^
-Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:379:59:
+ 545 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492
+ | ^
+Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:273:31:
- 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, &
- | ^
-note: 't6' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:774:30:
+ 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213
+ | ^
+note: 't196' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:495:30:
- 774 | t732 = t60*t187
+ 495 | t365 = t27*t200
| ^
-Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:379:64:
-
- 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, &
- | ^
-note: 't60' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:679:35:
-
- 679 | *t61*t262*t25
- | ^
-Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:382:73:
-
- 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, &
- | ^
-note: 't61' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:679:35:
-
- 679 | *t61*t262*t25
- | ^
-Warning: 't62' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:385:61:
-
- 385 | REAL(KIND=dp) :: t6186, t6189, t6192, t6194, t6198, t62, t6201, t6207, t6210, t6213, t6216, &
- | ^
-note: 't62' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:778:87:
-
- 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:389:93:
+Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:273:41:
- 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, &
- | ^
-note: 't65' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:687:30:
+ 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213
+ | ^
+note: 't200' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:550:69:
- 687 | t516 = t66*t515
- | ^
-Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:390:92:
+ 550 | *t24*t98*t496)*sx
+ | ^
+Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:285:18:
- 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, &
- | ^
-note: 't66' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:648:30:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:493:94:
- 648 | t406 = t68*t140
- | ^
+ 493 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx
+ | ^
Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:49:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:285:59:
- 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1680:30:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:444:47:
- 1680 | t3097 = t66*t69
- | ^
+ 444 | t251 = 0.1e1_dp/t1/t219/t69*t250
+ | ^
Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:60:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:285:70:
- 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
- | ^
+ 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-2024.2/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-2024.2/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, &
- | ^
-note: 't7' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:684:29:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:433:29:
- 684 | t511 = t22*t70
+ 433 | t225 = t71*t76
| ^
-Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:778:87:
-
- 778 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709
- | ^
Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:12:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:285:79:
- 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:663:30:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:508:72:
- 663 | t450 = t114*t74
- | ^
-Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:83:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:285:90:
- 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:714:98:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:435:38:
- 714 | t46*t541))*sx
- | ^
-Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:394:66:
+ 435 | t230 = 0.1e1_dp/t75/t16
+ | ^
+Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:286:30:
- 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:714:98:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:433:29:
- 714 | t46*t541))*sx
- | ^
-Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:394:95:
+ 433 | t225 = t71*t76
+ | ^
+Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:286:35:
- 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:787:108:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:447:30:
- 787 | *t83*t653 - 0.2222222224e0_dp*t144*t46*t739))*sx
- | ^
-Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:395:41:
+ 447 | t255 = t77*t254
+ | ^
+Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:286:46:
- 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:714:98:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:505:55:
- 714 | t46*t541))*sx
- | ^
-Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:395:88:
+ 505 | t87 + 0.8000000000e1_dp*t393*t397
+ | ^
+Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:286:51:
- 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:714:98:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:443:38:
- 714 | t46*t541))*sx
- | ^
+ 443 | t250 = 0.1e1_dp/t85/t84
+ | ^
Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:396:12:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:286:78:
- 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1467:70:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:443:38:
- 1467 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058
- | ^
+ 443 | t250 = 0.1e1_dp/t85/t84
+ | ^
Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:396:17:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:286:95:
- 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:593:28:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:560:66:
- 593 | t302 = t7*t86
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:396:52:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:287:18:
- 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, &
- | ^
+ 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961
+ | ^
note: 't86' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:746:73:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:505:55:
- 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371
- | ^
+ 505 | t87 + 0.8000000000e1_dp*t393*t397
+ | ^
Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:396:93:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:287:35:
- 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, &
- | ^
+ 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961
+ | ^
note: 't87' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:750:49:
-
- 750 | *t615 - 0.20e1_dp*t102*t646
- | ^
-Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:397:30:
-
- 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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:597:30:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:434:30:
- 597 | t309 = t308*t92
+ 434 | t226 = t225*t90
| ^
-Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:398:24:
+Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:287:46:
- 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941
- | ^
-note: 't92' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:635:71:
+ 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961
+ | ^
+note: 't90' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:508:72:
- 635 | *t322 + 0.40e1_dp*t102*t329 - 0.20e1_dp*t102*t376
- | ^
-Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:398:53:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:287:51:
- 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941
- | ^
-note: 't93' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1467:70:
+ 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961
+ | ^
+note: 't91' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:545:70:
- 1467 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058
+ 545 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492
| ^
Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:398:64:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:287:62:
- 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941
- | ^
+ 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961
+ | ^
note: 't94' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:612:38:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:493:94:
- 612 | t341 = 0.1e1_dp/t19/t95
- | ^
+ 493 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx
+ | ^
Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:399:50:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:287:67:
- 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, &
- | ^
+ 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961
+ | ^
note: 't95' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:739:30:
-
- 739 | t627 = t97*t132
- | ^
-Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:400:30:
-
- 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2419:50:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:493:94:
- 2419 | t5564 = 0.1173333333e3_dp*t5060*t98
- | ^
+ 493 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx
+ | ^
Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:400:71:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:288:26:
- 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, &
- | ^
+ 288 | REAL(kind=dp) :: t98, t99, xx
+ | ^
note: 't98' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:401:12:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:785:32:
- 401 | t99, t991, t995, t997, xx
- | ^
-note: 't99' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1745:85:
+ 785 | t98*t1400
+ | ^
+Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:273:47:
- 1745 | + t3288)
- | ^
-Warning: 't214' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:314:48:
+ 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213
+ | ^
+note: 't207' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:726:76:
- 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160
- | ^
-note: 't214' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1745:85:
+ 726 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141)
+ | ^
+Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:273:58:
- 1745 | + t3288)
- | ^
-Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:315:34:
+ 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213
+ | ^
+note: 't211' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:726:76:
- 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, &
- | ^
-note: 't217' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34:
+ 726 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141)
+ | ^
+Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:273:64:
- 1551 | *t2565*t796
- | ^
-Warning: 't218' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:315:40:
+ 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213
+ | ^
+note: 't212' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:659:67:
- 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, &
- | ^
-note: 't218' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1193:32:
+ 659 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842
+ | ^
+Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:273:70:
- 1193 | t1645 = beta*t219
- | ^
-Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:315:67:
+ 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213
+ | ^
+note: 't213' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:659:67:
- 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, &
+ 659 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842
| ^
-note: 't219' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34:
+Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:274:27:
- 1551 | *t2565*t796
- | ^
-Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:316:18:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:614:63:
- 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, &
- | ^
-note: 't220' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1088:28:
+ 614 | /t69*t669)
+ | ^
+Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:274:33:
- 1088 | t1444
- | ^
+ 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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:316:52:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:274:44:
- 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:888:40:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:674:58:
- 888 | t995 = 0.1e1_dp/t787/t224
- | ^
-Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:316:86:
+ 674 | *t244*my_ndrho/t657/t7*t669)
+ | ^
+Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:274:50:
- 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, &
- | ^
-note: 't224' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1651:31:
+ 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, &
+ | ^
+note: 't222' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:741:80:
- 1651 | t2998 = t27*t225
- | ^
+ 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669)
+ | ^
Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:316:92:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:274:56:
- 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1084:53:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:674:58:
- 1084 | + 0.8000000000e1_dp*t366*t1440
- | ^
+ 674 | *t244*my_ndrho/t657/t7*t669)
+ | ^
+Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:274:62:
+
+ 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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:318:53:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:274:73:
- 318 | t2287, t2292, t2295, t2296, t2299, t23, t230, t2300, t2304, t2307, t2308, t2311, t2312, &
- | ^
+ 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, &
+ | ^
note: 't230' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1559:85:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:674:58:
- 1559 | - 0.20e1_dp*t102*t105*t2569 - 0.6400000001e2_dp*t321*t953*t979
+ 674 | *t244*my_ndrho/t657/t7*t669)
+ | ^
+Warning: 't232' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:674:58:
+
+ 674 | *t244*my_ndrho/t657/t7*t669)
+ | ^
Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:319:27:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:274:91:
- 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, &
- | ^
+ 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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1745:85:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:674:58:
- 1745 | + t3288)
- | ^
+ 674 | *t244*my_ndrho/t657/t7*t669)
+ | ^
Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:319:53:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:274:97:
- 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1328:32:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:674:58:
- 1328 | t1912 = t399*t245
- | ^
-Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:320:34:
+ 674 | *t244*my_ndrho/t657/t7*t669)
+ | ^
+Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:275:18:
- 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, &
- | ^
-note: 't245' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1524:40:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:674:58:
- 1524 | *t1368*t166*t2160
- | ^
-Warning: 't249' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:320:68:
+ 674 | *t244*my_ndrho/t657/t7*t669)
+ | ^
+Warning: 't244' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:275:24:
- 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, &
- | ^
-note: 't249' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1128:56:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:741:80:
- 1128 | + 0.3333333334e0_dp*t55*t57*t1531
- | ^
+ 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669)
+ | ^
+Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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: 't245' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:320:86:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:275:36:
- 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1287:32:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:674:58:
- 1287 | t1821 = t472*t262
- | ^
-Warning: 't262' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:321:66:
+ 674 | *t244*my_ndrho/t657/t7*t669)
+ | ^
+Warning: 't251' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:275:42:
- 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622
- | ^
-note: 't262' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1679:69:
+ 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, &
+ | ^
+note: 't251' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:674:58:
- 1679 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201
- | ^
-Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:322:68:
+ 674 | *t244*my_ndrho/t657/t7*t669)
+ | ^
+Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:275:48:
- 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, &
- | ^
-note: 't266' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:674:58:
- 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134
- | ^
-Warning: 't267' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:322:74:
+ 674 | *t244*my_ndrho/t657/t7*t669)
+ | ^
+Warning: 't255' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:275:54:
- 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, &
- | ^
-note: 't267' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83:
+ 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, &
+ | ^
+note: 't255' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:726:76:
- 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134
- | ^
-Warning: 't268' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:322:80:
+ 726 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141)
+ | ^
+Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:275:60:
- 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, &
- | ^
-note: 't268' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1505:51:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:659:67:
- 1505 | 0.1111111112e0_dp*t1129*t271
- | ^
-Warning: 't271' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:323:13:
+ 659 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842
+ | ^
+Warning: 't259' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:275:66:
- 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, &
- | ^
-note: 't271' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1809:33:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:688:57:
- 1809 | t3569 = t274*t1505
- | ^
-Warning: 't274' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:323:40:
+ 688 | - 0.1111111111e0_dp*t117*t293*t404
+ | ^
+Warning: 't264' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:275:77:
- 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, &
- | ^
-note: 't274' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:688:57:
- 1692 | *t503*t2312
- | ^
-Warning: 't275' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:323:46:
+ 688 | - 0.1111111111e0_dp*t117*t293*t404
+ | ^
+Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:275:83:
- 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, &
- | ^
-note: 't275' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:812:74:
- 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264
- | ^
-Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:323:73:
+ 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46)
+ | ^
+Warning: 't270' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:275:94:
- 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, &
- | ^
-note: 't278' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1745:85:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:776:37:
- 1745 | + t3288)
- | ^
-Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:324:13:
+ 776 | *t36*t38*t1396
+ | ^
+Warning: 't271' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:13:
- 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, &
+ 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, &
| ^
-note: 't282' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1067:96:
-
- 1067 | t804 - 0.4444444448e0_dp*t43*t894 + t8*t1401)*sx
- | ^
-Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1580:69:
-
- 1580 | *t55*t1082 - 0.1000000001e1_dp*t165*t2631*t237
- | ^
-Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:324:88:
-
- 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, &
- | ^
-note: 't289' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1737:66:
-
- 1737 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160
- | ^
-Warning: 't290' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:324:94:
-
- 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, &
- | ^
-note: 't290' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1737:66:
-
- 1737 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160
- | ^
-Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:325:27:
+note: 't271' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:688:57:
- 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, &
- | ^
-note: 't294' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29:
+ 688 | - 0.1111111111e0_dp*t117*t293*t404
+ | ^
+Warning: 't281' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:24:
- 1063 | *t1397
- | ^
-Warning: 't295' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:325:33:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:653:54:
- 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, &
- | ^
-note: 't295' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1161:30:
+ 653 | + 0.3333333334e0_dp*t36*t38*t838
+ | ^
+Warning: 't284' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:30:
- 1161 | t1597 = t7*t298
+ 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, &
| ^
-Warning: 't298' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:325:39:
-
- 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, &
- | ^
-note: 't298' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1150:49:
-
- 1150 | t1579 = 0.1173333333e3_dp*t24*t299
- | ^
-Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:325:45:
-
- 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, &
- | ^
-note: 't299' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55:
+note: 't284' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:688:57:
- 1569 | 0.5866666667e2_dp*t962*t949*t375
- | ^
-Warning: 't302' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:325:72:
+ 688 | - 0.1111111111e0_dp*t117*t293*t404
+ | ^
+Warning: 't285' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:36:
- 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, &
- | ^
-note: 't302' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:863:31:
+ 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, &
+ | ^
+note: 't285' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:776:37:
- 863 | t942 = t367*t306
- | ^
-Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:325:92:
+ 776 | *t36*t38*t1396
+ | ^
+Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:42:
- 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, &
- | ^
-note: 't306' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:776:37:
- 1569 | 0.5866666667e2_dp*t962*t949*t375
- | ^
-Warning: 't307' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:326:20:
+ 776 | *t36*t38*t1396
+ | ^
+Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:53:
- 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, &
- | ^
-note: 't307' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:901:31:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:776:37:
- 901 | t1033 = t308*t12
- | ^
-Warning: 't308' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:326:33:
+ 776 | *t36*t38*t1396
+ | ^
+Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:59:
- 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, &
- | ^
-note: 't308' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:891:40:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:717:76:
- 891 | t1002 = 0.1e1_dp/t19/t309
- | ^
-Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:326:46:
+ 717 | + t1136)
+ | ^
+Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:74:
- 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, &
- | ^
-note: 't309' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:760:63:
- 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134
- | ^
-Warning: 't311' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:326:78:
+ 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345
+ | ^
+Warning: 't312' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:91:
- 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, &
- | ^
-note: 't311' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1157:51:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:776:37:
- 1157 | t1591 = 0.1173333333e3_dp*t1589*t313
- | ^
+ 776 | *t36*t38*t1396
+ | ^
Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:326:91:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:276:97:
- 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:653:54:
- 1569 | 0.5866666667e2_dp*t962*t949*t375
- | ^
+ 653 | + 0.3333333334e0_dp*t36*t38*t838
+ | ^
Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:327:20:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:277:13:
- 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55:
-
- 1569 | 0.5866666667e2_dp*t962*t949*t375
- | ^
-Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:327:26:
-
- 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, &
- | ^
-note: 't317' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1160:43:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:653:54:
- 1160 | t1596 = 0.320e2_dp*t605*t318
- | ^
-Warning: 't318' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:327:32:
+ 653 | + 0.3333333334e0_dp*t36*t38*t838
+ | ^
+Warning: 't319' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:277:19:
- 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, &
- | ^
-note: 't318' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:653:54:
- 1569 | 0.5866666667e2_dp*t962*t949*t375
- | ^
+ 653 | + 0.3333333334e0_dp*t36*t38*t838
+ | ^
Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:327:45:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:277:25:
- 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1168:50:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:695:38:
- 1168 | t1607 = 0.1066666667e2_dp*t339*t322
- | ^
-Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:327:51:
+ 695 | *t128*t323*t172
+ | ^
+Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:277:31:
- 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, &
- | ^
-note: 't322' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:868:30:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:653:54:
- 868 | t953 = t97*t326
- | ^
-Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:327:78:
+ 653 | + 0.3333333334e0_dp*t36*t38*t838
+ | ^
+Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:277:37:
- 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, &
- | ^
-note: 't326' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1559:85:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:709:36:
- 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:328:20:
+ 709 | t41*t328*t466
+ | ^
+Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:277:43:
- 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329
- | ^
-note: 't327' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:709:36:
- 1569 | 0.5866666667e2_dp*t962*t949*t375
- | ^
+ 709 | t41*t328*t466
+ | ^
Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:328:33:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:277:49:
- 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1173:42:
-
- 1173 | t1615 = 0.80e1_dp*t112*t329
- | ^
-Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1203:79:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:638:40:
- 1203 | t1667 = 0.28e2_dp/0.3e1_dp*t332 - 0.28e2_dp/0.3e1_dp*t987*my_rho
- | ^
-Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:328:80:
+ 638 | REAL(t46, KIND=dp)
+ | ^
+Warning: 't330' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:277:55:
- 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329
- | ^
-note: 't332' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1189:49:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:702:68:
- 1189 | t1638 = 0.1200000000e3_dp*t24*t336
- | ^
-Warning: 't336' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:329:76:
+ 702 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091
+ | ^
+Warning: 't335' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:277:61:
- 329 | REAL(KIND=dp) :: t3339, t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, &
- | ^
-note: 't336' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1168:50:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:709:36:
- 1168 | t1607 = 0.1066666667e2_dp*t339*t322
- | ^
+ 709 | t41*t328*t466
+ | ^
Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:330:34:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:277:67:
- 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, &
- | ^
+ 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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54:
-
- 1842 | + 0.3200000000e2_dp*t1055*t3674
- | ^
-Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:330:46:
-
- 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, &
- | ^
-note: 't342' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1194:51:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:709:36:
- 1194 | t1647 = 0.5600000000e2_dp*t1645*t343
- | ^
+ 709 | t41*t328*t466
+ | ^
Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:330:52:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:277:78:
- 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, &
- | ^
+ 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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:330:72:
-
- 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, &
- | ^
-note: 't347' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34:
-
- 1551 | *t2565*t796
- | ^
-Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1198:51:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:638:40:
- 1198 | t1656 = 0.8000000000e1_dp*t1429*t352
- | ^
-Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:331:73:
+ 638 | REAL(t46, KIND=dp)
+ | ^
+Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:277:84:
- 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, &
- | ^
-note: 't352' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:906:35:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:709:36:
- 906 | t1002*my_rho
- | ^
-Warning: 't356' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:332:41:
+ 709 | t41*t328*t466
+ | ^
+Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:277:90:
- 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, &
- | ^
-note: 't356' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:709:36:
- 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368
- | ^
-Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:332:61:
+ 709 | t41*t328*t466
+ | ^
+Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:277:96:
- 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, &
- | ^
-note: 't357' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:653:54:
- 1551 | *t2565*t796
- | ^
-Warning: 't360' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:333:13:
+ 653 | + 0.3333333334e0_dp*t36*t38*t838
+ | ^
+Warning: 't354' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:278:13:
- 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, &
+ 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, &
| ^
-note: 't360' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1202:42:
+note: 't354' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:595:30:
- 1202 | t1664 = 0.60e1_dp*t550*t362
- | ^
-Warning: 't362' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:333:33:
+ 595 | t601 = t27*t358
+ | ^
+Warning: 't358' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:278:19:
- 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, &
- | ^
-note: 't362' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:785:32:
- 1551 | *t2565*t796
- | ^
+ 785 | t98*t1400
+ | ^
Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:333:39:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:278:30:
- 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34:
-
- 1551 | *t2565*t796
- | ^
-Warning: 't366' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:785:32:
- 1551 | *t2565*t796
- | ^
+ 785 | t98*t1400
+ | ^
Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:333:92:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:278:36:
- 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34:
-
- 1551 | *t2565*t796
- | ^
-Warning: 't371' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1201:48:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:726:76:
- 1201 | t1662 = 0.3200000000e2_dp*t7*t372
- | ^
+ 726 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141)
+ | ^
Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:334:38:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:278:47:
- 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:741:80:
- 1569 | 0.5866666667e2_dp*t962*t949*t375
- | ^
-Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:334:51:
+ 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669)
+ | ^
+Warning: 't377' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:278:53:
- 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, &
- | ^
-note: 't375' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1184:42:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:674:58:
- 1184 | t1630 = 0.40e1_dp*t112*t376
- | ^
-Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:334:64:
+ 674 | *t244*my_ndrho/t657/t7*t669)
+ | ^
+Warning: 't382' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:278:64:
- 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, &
+ 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, &
| ^
-note: 't376' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76:
-
- 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368
- | ^
-Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29:
-
- 1063 | *t1397
- | ^
-Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1580:69:
+note: 't382' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:741:80:
- 1580 | *t55*t1082 - 0.1000000001e1_dp*t165*t2631*t237
- | ^
+ 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669)
+ | ^
Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:335:27:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:278:70:
- 335 | t3826, t3827, t383, t384, t3842, t3849, t3853, t3861, t3865, t3869
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1737:66:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:741:80:
- 1737 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160
- | ^
+ 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669)
+ | ^
Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:335:33:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:278:76:
- 335 | t3826, t3827, t383, t384, t3842, t3849, t3853, t3861, t3865, t3869
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29:
-
- 1063 | *t1397
- | ^
-Warning: 't387' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1610:40:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:794:102:
- 1610 | *t2763*t446*t2779
- | ^
+ 794 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669)
+ | ^
Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:336:74:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:278:87:
- 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, &
- | ^
+ 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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1036:33:
-
- 1036 | t1367 = omega*t398
- | ^
-Warning: 't398' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:337:48:
-
- 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, &
- | ^
-note: 't398' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1328:32:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:741:80:
- 1328 | t1912 = t399*t245
- | ^
-Warning: 't399' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:337:61:
+ 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669)
+ | ^
+Warning: 't397' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:278:93:
- 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, &
- | ^
-note: 't399' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1524:40:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:741:80:
- 1524 | *t1368*t166*t2160
- | ^
+ 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669)
+ | ^
Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:337:76:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:18:
- 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1622:39:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:741:80:
- 1622 | *t400*t401*t2230
- | ^
+ 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669)
+ | ^
Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:337:82:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:24:
- 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1524:40:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:785:32:
- 1524 | *t1368*t166*t2160
- | ^
+ 785 | t98*t1400
+ | ^
+Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:30:
+
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:726:76:
+
+ 726 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141)
+ | ^
Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:338:27:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:36:
- 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1634:65:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:726:76:
- 1634 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237
- | ^
-Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:338:33:
+ 726 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141)
+ | ^
+Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:42:
- 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, &
- | ^
-note: 't406' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:776:37:
- 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264
- | ^
+ 776 | *t36*t38*t1396
+ | ^
Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:338:72:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:59:
- 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1634:65:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:688:57:
- 1634 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237
- | ^
+ 688 | - 0.1111111111e0_dp*t117*t293*t404
+ | ^
Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:338:92:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:65:
- 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1647:57:
-
- 1647 | - 0.5000000001e0_dp*t429*t437*t914
- | ^
-Warning: 't424' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:339:34:
-
- 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, &
- | ^
-note: 't424' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1308:55:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:776:37:
- 1308 | t1861 = 0.1800000000e2_dp*t658*t575*t425
- | ^
-Warning: 't425' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:339:40:
+ 776 | *t36*t38*t1396
+ | ^
+Warning: 't418' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:71:
- 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, &
- | ^
-note: 't425' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1635:33:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:688:57:
- 1635 | t2885 = t428*t1372
- | ^
+ 688 | - 0.1111111111e0_dp*t117*t293*t404
+ | ^
Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:339:74:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:82:
- 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1737:66:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:776:37:
- 1737 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160
- | ^
+ 776 | *t36*t38*t1396
+ | ^
Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:339:80:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:279:88:
- 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1647:57:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:776:37:
- 1647 | - 0.5000000001e0_dp*t429*t437*t914
- | ^
-Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:340:20:
+ 776 | *t36*t38*t1396
+ | ^
+Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:280:13:
- 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, &
- | ^
-note: 't433' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80:
+ 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
+ | ^
+note: 't435' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:812:74:
- 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264
- | ^
-Warning: 't437' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:340:40:
+ 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46)
+ | ^
+Warning: 't451' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:280:24:
- 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, &
- | ^
-note: 't437' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1598:33:
+ 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
+ | ^
+note: 't451' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:746:57:
- 1598 | t2763 = t1367*t444
- | ^
-Warning: 't444' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:340:72:
+ 746 | + 0.5999999999e1_dp*t128*t132*t529
+ | ^
+Warning: 't452' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:280:30:
- 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, &
- | ^
-note: 't444' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1647:57:
+ 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
+ | ^
+note: 't452' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:688:57:
- 1647 | - 0.5000000001e0_dp*t429*t437*t914
+ 688 | - 0.1111111111e0_dp*t117*t293*t404
| ^
-Warning: 't445' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:340:78:
+Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:280:36:
- 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, &
- | ^
-note: 't445' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1610:40:
+ 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
+ | ^
+note: 't455' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:688:57:
- 1610 | *t2763*t446*t2779
- | ^
-Warning: 't446' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:340:84:
+ 688 | - 0.1111111111e0_dp*t117*t293*t404
+ | ^
+Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:280:42:
- 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, &
- | ^
-note: 't446' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1053:28:
+ 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
+ | ^
+note: 't457' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:688:57:
- 1053 | *t237
- | ^
-Warning: 't450' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:341:25:
+ 688 | - 0.1111111111e0_dp*t117*t293*t404
+ | ^
+Warning: 't460' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:280:53:
- 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, &
- | ^
-note: 't450' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83:
+ 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
+ | ^
+note: 't460' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:709:36:
- 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134
- | ^
-Warning: 't451' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:341:38:
+ 709 | t41*t328*t466
+ | ^
+Warning: 't462' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:280:59:
- 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, &
- | ^
-note: 't451' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1053:28:
+ 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
+ | ^
+note: 't462' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:709:36:
- 1053 | *t237
- | ^
-Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:341:58:
+ 709 | t41*t328*t466
+ | ^
+Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:280:65:
- 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, &
- | ^
-note: 't455' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1610:40:
+ 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
+ | ^
+note: 't463' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:760:63:
- 1610 | *t2763*t446*t2779
- | ^
-Warning: 't462' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:341:97:
+ 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345
+ | ^
+Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:280:71:
- 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, &
- | ^
-note: 't462' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1595:104:
+ 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464
+ | ^
+note: 't464' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:760:63:
- 1595 | *t394) + 0.5000000001e0_dp*t165*t2720*t237
- | ^
-Warning: 't466' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:342:27:
+ 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345
+ | ^
+Warning: 't465' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:281:27:
- 342 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1018:40:
+note: 't465' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:812:74:
- 1018 | t1300 = 0.1e1_dp/t41/t470
- | ^
-Warning: 't470' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:342:45:
+ 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46)
+ | ^
+Warning: 't466' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:281:33:
- 342 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707
- | ^
-note: 't470' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1427:30:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:760:63:
- 1427 | t2117 = t471*pi
- | ^
-Warning: 't471' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:343:34:
+ 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345
+ | ^
+Warning: 't467' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:281:39:
- 343 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, &
- | ^
-note: 't471' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1287:32:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:702:68:
- 1287 | t1821 = t472*t262
- | ^
-Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:343:61:
+ 702 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091
+ | ^
+Warning: 't470' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:281:50:
- 343 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, &
- | ^
-note: 't472' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:760:63:
- 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368
- | ^
+ 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345
+ | ^
Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:343:95:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:281:56:
- 343 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1659:33:
-
- 1659 | t1176*t804
- | ^
-Warning: 't474' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:344:55:
-
- 344 | t4732, t4733, t4734, t4736, t4738, t4739, t474, t4743, t4744, t4748, t4760, t4764, t4768, &
- | ^
-note: 't474' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:702:68:
- 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368
- | ^
+ 702 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091
+ | ^
Warning: 't478' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:345:48:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:281:62:
- 345 | t4769, t4770, t4771, t4772, t4776, t478, t4782, t4786, t4789, t479, t4790, t4793, t4796, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1659:33:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:760:63:
- 1659 | t1176*t804
- | ^
+ 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345
+ | ^
Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:345:75:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:281:68:
- 345 | t4769, t4770, t4771, t4772, t4776, t478, t4782, t4786, t4789, t479, t4790, t4793, t4796, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:760:63:
- 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368
- | ^
+ 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345
+ | ^
+Warning: 't482' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:348:41:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:281:91:
- 348 | t4881, t4884, t4887, t4889, t489, t4893, t4895, t4897, t4898, t49, t4901, t4904, t4905, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:717:76:
- 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134
- | ^
+ 717 | + t1136)
+ | ^
+Warning: 't492' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:351:34:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:19:
- 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1679:69:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:818:44:
- 1679 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201
- | ^
-Warning: 't498' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:351:40:
+ 818 | *sx
+ | ^
+Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:29:
- 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, &
- | ^
-note: 't498' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:941:31:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:785:32:
- 941 | t1106 = t500*t67
- | ^
-Warning: 't500' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:351:65:
+ 785 | t98*t1400
+ | ^
+Warning: 't502' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:35:
- 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, &
- | ^
-note: 't500' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1701:64:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:785:32:
- 1701 | *t2622*t71 - 0.1666666668e0_dp*t1106*t886
- | ^
-Warning: 't503' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:352:76:
+ 785 | t98*t1400
+ | ^
+Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:41:
- 352 | t5009, t5011, t5013, t5016, t5019, t5022, t5025, t5028, t5029, t503, t5032, t5035, t5036, &
- | ^
-note: 't503' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:794:102:
- 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134
- | ^
+ 794 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669)
+ | ^
Warning: 't508' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:353:83:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:47:
- 353 | t5040, t5043, t5044, t5047, t5050, t5051, t5060, t5065, t5069, t5079, t508, t5083, t5087, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:985:32:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:741:80:
- 985 | t1213 = t511*t225
- | ^
-Warning: 't511' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:354:27:
+ 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669)
+ | ^
+Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:58:
- 354 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, &
- | ^
-note: 't511' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:794:102:
- 1692 | *t503*t2312
- | ^
-Warning: 't512' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:354:47:
+ 794 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669)
+ | ^
+Warning: 't514' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:64:
- 354 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, &
- | ^
-note: 't512' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:599:38:
- 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134
- | ^
-Warning: 't515' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:354:95:
+ 599 | t624 = 0.1e1_dp/t8/t519
+ | ^
+Warning: 't519' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:70:
- 354 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, &
- | ^
-note: 't515' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:794:102:
- 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134
- | ^
-Warning: 't516' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:355:13:
+ 794 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669)
+ | ^
+Warning: 't521' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:81:
- 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, &
- | ^
-note: 't516' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83:
-
- 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134
- | ^
-Warning: 't517' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:355:26:
-
- 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, &
- | ^
-note: 't517' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:794:102:
- 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134
- | ^
-Warning: 't520' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:355:46:
+ 794 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669)
+ | ^
+Warning: 't525' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:87:
- 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, &
- | ^
-note: 't520' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1701:64:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:794:102:
- 1701 | *t2622*t71 - 0.1666666668e0_dp*t1106*t886
- | ^
+ 794 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669)
+ | ^
Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:356:20:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:282:93:
- 356 | t5256, t526, t5262, t527, t5270, t5271, t5276, t5280, t5281, t5284
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:818:44:
- 1692 | *t503*t2312
- | ^
-Warning: 't527' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:356:33:
+ 818 | *sx
+ | ^
+Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:283:13:
- 356 | t5256, t526, t5262, t527, t5270, t5271, t5276, t5280, t5281, t5284
- | ^
-note: 't527' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:785:32:
- 1692 | *t503*t2312
- | ^
+ 785 | t98*t1400
+ | ^
Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:357:60:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:283:19:
- 357 | REAL(KIND=dp) :: t5291, t5294, t5295, t5298, t53, t530, t5301, t5303, t5305, t5308, t531, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34:
-
- 1692 | *t503*t2312
- | ^
-Warning: 't531' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1679:69:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:812:74:
- 1679 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201
- | ^
-Warning: 't534' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:358:97:
+ 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46)
+ | ^
+Warning: 't536' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:283:37:
- 358 | t5311, t5314, t5317, t5320, t5323, t5326, t5329, t5330, t5333, t5335, t5338, t5339, t534, &
- | ^
-note: 't534' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:812:74:
- 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264
- | ^
+ 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46)
+ | ^
Warning: 't537' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:359:83:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:283:43:
- 359 | t5342, t5343, t5345, t5347, t5351, t5354, t5357, t5360, t5363, t5367, t537, t5370, t5371, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:930:31:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:812:74:
- 930 | t1071 = t45*t541
- | ^
-Warning: 't541' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:360:90:
+ 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46)
+ | ^
+Warning: 't539' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:283:49:
- 360 | t5373, t5376, t5379, t5383, t5386, t5389, t5397, t5400, t5402, t5406, t5409, t541, t5412, &
- | ^
-note: 't541' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1202:42:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:776:37:
- 1202 | t1664 = 0.60e1_dp*t550*t362
- | ^
-Warning: 't550' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:364:32:
+ 776 | *t36*t38*t1396
+ | ^
+Warning: 't562' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:283:60:
- 364 | REAL(KIND=dp) :: t55, t550, t5503, t5507, t5509, t551, t5511, t5516, t5523, t5525, t5528, &
- | ^
-note: 't550' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1185:32:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:776:37:
- 1185 | t1631 = t375*t557
- | ^
-Warning: 't557' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:366:41:
+ 776 | *t36*t38*t1396
+ | ^
+Warning: 't566' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:283:66:
- 366 | t5562, t5564, t5565, t5568, t557, t5572, t5574, t5575, t5579, t558, t5581, t5585, t5590, &
- | ^
-note: 't557' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:812:74:
- 2260 | *t105*t5118
- | ^
-Warning: 't558' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:366:75:
+ 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46)
+ | ^
+Warning: 't570' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:283:72:
- 366 | t5562, t5564, t5565, t5568, t557, t5572, t5574, t5575, t5579, t558, t5581, t5585, t5590, &
- | ^
-note: 't558' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1357:32:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:812:74:
- 1357 | t1973 = t561*t149
- | ^
-Warning: 't561' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:367:67:
+ 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46)
+ | ^
+Warning: 't571' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:283:78:
- 367 | t5593, t5595, t5597, t56, t5600, t5602, t5604, t5607, t561, t5610, t5611, t5613, t5619, &
- | ^
-note: 't561' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1396:80:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:812:74:
- 1396 | + t1482 + t1479 - t1489 + 0.3333333334e0_dp*t55*t57*t2042
- | ^
-Warning: 't567' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:369:54:
+ 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46)
+ | ^
+Warning: 't572' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:283:84:
- 369 | t5657, t566, t5660, t5663, t5666, t5667, t567, t5670, t5671, t5673, t5676, t5679, t5682, &
- | ^
-note: 't567' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1396:80:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:760:63:
- 1396 | + t1482 + t1479 - t1489 + 0.3333333334e0_dp*t55*t57*t2042
- | ^
-Warning: 't569' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:370:27:
+ 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345
+ | ^
+Warning: 't573' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:283:90:
- 370 | t5686, t5689, t569, t5692, t5695, t5696, t5698, t5699, t57, t5701, t5705
- | ^
-note: 't569' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1415:39:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:776:37:
- 1415 | t2081*t575*t2082
- | ^
+ 776 | *t36*t38*t1396
+ | ^
+Warning: 't574' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:372:34:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:284:13:
- 372 | t5742, t5745, t5749, t575, t5752, t5756, t5760, t5767, t5770, t5773, t5776, t5780, t5783, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1272:32:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:776:37:
- 1272 | t1785 = t579*t515
- | ^
-Warning: 't579' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:373:27:
+ 776 | *t36*t38*t1396
+ | ^
+Warning: 't576' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:284:19:
- 373 | t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, &
- | ^
-note: 't579' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1351:34:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:760:63:
- 1351 | t1962 = t585*my_rho
- | ^
-Warning: 't585' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:374:97:
+ 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345
+ | ^
+Warning: 't580' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:284:25:
- 374 | t5819, t5822, t5825, t5828, t5830, t5831, t5833, t5835, t5838, t5841, t5845, t5848, t585, &
- | ^
-note: 't585' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1074:59:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:776:37:
- 1074 | t1417 = 0.6666666672e0_dp*t217*t46*t589*t237
- | ^
-Warning: 't589' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:375:97:
+ 776 | *t36*t38*t1396
+ | ^
+Warning: 't586' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:284:31:
- 375 | t5850, t5854, t5857, t5861, t5864, t5868, t5869, t5875, t5880, t5881, t5885, t5888, t589, &
- | ^
-note: 't589' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1069:50:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:730:31:
- 1069 | t1408 = 0.4444444448e0_dp*t214*t590
- | ^
+ 730 | t1153 = t27*t590
+ | ^
Warning: 't590' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:376:32:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:284:42:
- 376 | t5891, t5898, t59, t590, t5902, t5905, t5908, t5911, t5913, t5918, t5922, t5925, t5926, &
- | ^
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1364:56:
-
- 1364 | t1987 = 0.8333333335e-1_dp*t429*t437*t593
- | ^
-Warning: 't593' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:377:20:
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_pbe.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_pbe.F xc_pbe.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xbeef.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_xbeef.F xc_xbeef.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:661:53:
- 377 | t5929, t593, t5932, t5938, t5940, t5942, t5944, t5949, t5952
- | ^
-note: 't593' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1136:55:
+ 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-2024.2/src/xc/xc_perdew_wang.F:540:78:
- 1136 | t1552 = 0.1666666668e0_dp*t289*t597*t290
- | ^
-Warning: 't597' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:378:76:
+ 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, &
+ | ^
+note: 'trrr' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:661:53:
- 378 | REAL(KIND=dp) :: t5954, t5956, t5958, t5960, t5963, t5964, t5966, t597, t5971, t5973, t5975, &
- | ^
-note: 't597' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1131:49:
+ 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-2024.2/src/xc/xc_perdew_wang.F:540:84:
- 1131 | t1543 = 0.3333333336e0_dp*t55*t598
- | ^
-Warning: 't598' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:379:27:
+ 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, &
+ | ^
+note: 'trrz' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:669:65:
- 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, &
- | ^
-note: 't598' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1160:43:
+ 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-2024.2/src/xc/xc_perdew_wang.F:540:95:
- 1160 | t1596 = 0.320e2_dp*t605*t318
- | ^
-Warning: 't605' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:381:34:
+ 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, &
+ | ^
+note: 'trzz' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:683:53:
- 381 | t6044, t6047, t6049, t605, t6052, t6053, t6056, t6058, t6060, t6063, t6066, t6074, t6075, &
- | ^
-note: 't605' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1158:32:
+ 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-2024.2/src/xc/xc_perdew_wang.F:541:69:
- 1158 | t1592 = t949*t608
- | ^
-Warning: 't608' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:382:27:
+ 541 | tzz, tzzz
+ | ^
+note: 'tzzz' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:642:37:
- 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, &
- | ^
-note: 't608' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34:
+ 642 | ed(m) = tr*r(1) + tz*z(1, 0)
+ | ^
+Warning: 'tr' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:540:67:
- 2260 | *t105*t5118
- | ^
-Warning: 't609' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:382:40:
+ 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, &
+ | ^
+note: 'tr' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:540:99:
- 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, &
- | ^
-note: 't609' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1169:32:
+ 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, &
+ | ^
+Warning: 'tz' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:648:56:
- 1169 | t1608 = t953*t614
- | ^
-Warning: 't614' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:383:76:
+ 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-2024.2/src/xc/xc_perdew_wang.F:540:72:
- 383 | t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, &
- | ^
-note: 't614' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34:
+ 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, &
+ | ^
+note: 'trr' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:648:56:
- 2260 | *t105*t5118
- | ^
-Warning: 't615' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:383:96:
+ 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-2024.2/src/xc/xc_perdew_wang.F:540:89:
- 383 | t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, &
- | ^
-note: 't615' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1188:50:
+ 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, &
+ | ^
+note: 'trz' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:541:63:
- 1188 | t1636 = 0.5600000000e2_dp*t624*t115
- | ^
-Warning: 't624' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:386:41:
+ 541 | 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="\"Tue Apr 1 03:41:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pbe.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_pbe.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1155:24:
- 386 | t6219, t6222, t6223, t6227, t624, t6247, t6249, t6252, t6253, t6256, t6257, t6260, t6263, &
- | ^
-note: 't624' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2386:51:
+ 1155 | t206 = t1*ndrho
+ | ^
+Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:990:83:
- 2386 | t5480 = 0.1760000000e3_dp*t5060*t627
- | ^
-Warning: 't627' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:387:27:
+ 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
+ | ^
+note: 't1' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1224:22:
- 387 | t6267, t6268, t627, t6271, t628, t6281, t6283, t6290, t6291, t63, t6308, t6338, t6339, &
- | ^
-note: 't627' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66:
+ 1224 | t328 = t3*t10
+ | ^
+Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:990:88:
- 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681
- | ^
-Warning: 't628' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:387:40:
+ 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
+ | ^
+note: 't10' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1198:25:
- 387 | t6267, t6268, t627, t6271, t628, t6281, t6283, t6290, t6291, t63, t6308, t6338, t6339, &
- | ^
-note: 't628' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1207:37:
+ 1198 | t288 = t100*t139
+ | ^
+Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:990:94:
- 1207 | t1677 = t368*t635*t371
- | ^
-Warning: 't635' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:388:20:
+ 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
+ | ^
+note: 't100' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1200:55:
- 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, &
- | ^
-note: 't635' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66:
+ 1200 | /0.3e1_dp*t288*t142 - (4._dp*t101*t146)
+ | ^
+Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:991:13:
- 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681
- | ^
-Warning: 't637' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:388:47:
+ 991 | t101, t1019, t103, t104, t1051, t1056, t1062, t1066, t1069, t107, t1073, t1076, t1080, &
+ | ^
+note: 't101' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1196:25:
- 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, &
- | ^
-note: 't637' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1398:32:
+ 1196 | t280 = t197*t103
+ | ^
+Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:991:26:
- 1398 | t2054 = t786*t640
- | ^
-Warning: 't640' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:388:88:
+ 991 | t101, t1019, t103, t104, t1051, t1056, t1062, t1066, t1069, t107, t1073, t1076, t1080, &
+ | ^
+note: 't103' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1253:46:
- 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, &
- | ^
-note: 't640' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1178:32:
+ 1253 | t383 = (2._dp*t343*t104 + t79*t380)*E
+ | ^
+Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:991:32:
- 1178 | t1621 = t645*t233
+ 991 | t101, t1019, t103, t104, t1051, t1056, t1062, t1066, t1069, t107, t1073, t1076, t1080, &
| ^
-Warning: 't645' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:389:41:
-
- 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, &
- | ^
-note: 't645' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34:
-
- 2260 | *t105*t5118
- | ^
-Warning: 't646' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:389:54:
-
- 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, &
- | ^
-note: 't646' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1316:55:
+note: 't104' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1233:59:
- 1316 | t1881 = 0.1666666667e0_dp*t165*t437*t649
- | ^
-Warning: 't649' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:389:74:
+ 1233 | *t107*t301 + t111*(t304 + t329*t335))*Clda
+ | ^
+Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:991:73:
- 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, &
- | ^
-note: 't649' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1132:49:
+ 991 | t101, t1019, t103, t104, t1051, t1056, t1062, t1066, t1069, t107, t1073, t1076, t1080, &
+ | ^
+note: 't107' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1267:66:
- 1132 | t1545 = 0.3333333336e0_dp*t55*t650
- | ^
-Warning: 't650' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:390:13:
+ 1267 | - 3._dp*t107*t385 + t111*(t388 + t403*t335))*Clda
+ | ^
+Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:992:13:
- 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, &
+ 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, &
| ^
-note: 't650' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1219:49:
-
- 1219 | t1693 = 0.3333333336e0_dp*t55*t653
- | ^
-Warning: 't653' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:390:33:
+note: 't109' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1112:24:
- 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, &
- | ^
-note: 't653' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1415:39:
+ 1112 | t131 = t11*t130
+ | ^
+Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:992:32:
- 1415 | t2081*t575*t2082
- | ^
-Warning: 't658' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:390:73:
+ 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, &
+ | ^
+note: 't11' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1182:85:
- 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, &
- | ^
-note: 't658' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1368:55:
+ 1182 | *t248) - t113*t251
+ | ^
+Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:992:57:
- 1368 | t1997 = 0.1666666667e0_dp*t165*t171*t668
- | ^
-Warning: 't668' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:391:76:
+ 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, &
+ | ^
+note: 't113' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1175:25:
- 391 | t6603, t6611, t6620, t6621, t6630, t6640, t6658, t6665, t6669, t668
- | ^
-note: 't668' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1312:39:
+ 1175 | t241 = t114*t240
+ | ^
+Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:992:63:
- 1312 | t1871 = 2*t147*t393*t672
- | ^
-Warning: 't672' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:32:
+ 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, &
+ | ^
+note: 't114' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1213:25:
- 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
- | ^
-note: 't672' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2306:68:
+ 1213 | t315 = t314*t115
+ | ^
+Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:992:69:
- 2306 | *t462*t4729 + 0.3333333334e0_dp*t55*t57*t5276
- | ^
-Warning: 't673' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:38:
+ 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, &
+ | ^
+note: 't115' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1263:67:
- 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
- | ^
-note: 't673' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1305:56:
+ 1263 | t401 = 2._dp*t389*t116 + t113*t393 - t113*t396 - t113*t399
+ | ^
+Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:992:82:
- 1305 | t1852 = 0.8333333335e-1_dp*t429*t679*t290
- | ^
-Warning: 't679' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:44:
+ 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, &
+ | ^
+note: 't116' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1110:23:
- 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
- | ^
-note: 't679' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1313:54:
+ 1110 | t129 = t12*rho
+ | ^
+Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:12:
- 1313 | t1874 = 0.3333333334e0_dp*t170*t689*t25
- | ^
-Warning: 't689' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:55:
+ 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-2024.2/src/xc/xc_xwpbe.F:1234:70:
- 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
- | ^
-note: 't689' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1234:32:
+ 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-2024.2/src/xc/xc_xwpbe.F:993:25:
- 1234 | t1718 = t705*t266
- | ^
-Warning: 't705' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:75:
+ 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-2024.2/src/xc/xc_xwpbe.F:1145:23:
- 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
- | ^
-note: 't705' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1428:33:
+ 1145 | t190 = t42*t13
+ | ^
+Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:54:
- 1428 | t2118 = t707*t2117
- | ^
-Warning: 't707' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:81:
+ 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-2024.2/src/xc/xc_xwpbe.F:1142:24:
- 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
- | ^
-note: 't707' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1424:54:
+ 1142 | t186 = t14*t185
+ | ^
+Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:95:
- 1424 | + t1752 - t1754 - t1757 - t1760
- | ^
-Warning: 't708' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:87:
+ 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-2024.2/src/xc/xc_xwpbe.F:1194:24:
- 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
- | ^
-note: 't708' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1419:32:
+ 1194 | t276 = t15*t103
+ | ^
+Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:42:
- 1419 | t2099 = t709*t237
- | ^
-Warning: 't709' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:93:
+ 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-2024.2/src/xc/xc_xwpbe.F:1251:47:
- 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
- | ^
-note: 't709' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1278:51:
+ 1251 | t379 = 2._dp*t372*t16 + 4._dp*t376*t29
+ | ^
+Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:95:
- 1278 | t1797 = 0.8999999998e1_dp*t1795*t710
- | ^
-Warning: 't710' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:18:
+ 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-2024.2/src/xc/xc_xwpbe.F:1163:22:
- 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
- | ^
-note: 't710' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1232:31:
+ 1163 | t219 = a4*t18
+ | ^
+Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:54:
- 1232 | t1715 = t713*t67
- | ^
-Warning: 't713' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:24:
+ 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-2024.2/src/xc/xc_xwpbe.F:1117:24:
- 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
+ 1117 | t140 = t19*t139
| ^
-note: 't713' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1424:54:
+Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:95:
- 1424 | + t1752 - t1754 - t1757 - t1760
- | ^
-Warning: 't716' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:30:
+ 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-2024.2/src/xc/xc_xwpbe.F:1108:23:
- 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
- | ^
-note: 't716' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1250:50:
+ 1108 | t125 = t2*t124
+ | ^
+Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:47:
- 1250 | t1752 = 0.1851851853e0_dp*t719*t512
- | ^
-Warning: 't719' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:36:
+ 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
+ | ^
+note: 't2' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1122:53:
- 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
- | ^
-note: 't719' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1244:36:
+ 1122 | 0.3e1_dp*t140*t142 - (4._dp*t22*t146)
+ | ^
+Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:73:
- 1244 | t1737 = t722*t561*t65
- | ^
-Warning: 't722' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:42:
+ 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-2024.2/src/xc/xc_xwpbe.F:1120:27:
- 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
+ 1120 | t146 = t24*t44*t28
+ | ^
+Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:42:
+
+ 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
| ^
-note: 't722' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1276:51:
+note: 't24' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1136:32:
- 1276 | t1794 = 0.1000000001e1_dp*t723*t1712
- | ^
-Warning: 't723' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:48:
+ 1136 | t173 = 0.1e1_dp/t25/t12
+ | ^
+Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:77:
- 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
- | ^
-note: 't723' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1270:32:
+ 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
+ | ^
+note: 't25' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1118:23:
- 1270 | t1782 = t728*t267
- | ^
-Warning: 't728' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:54:
+ 1118 | t141 = t26*t28
+ | ^
+Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:30:
- 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
- | ^
-note: 't728' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1274:51:
+ 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
+ | ^
+note: 't26' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1120:27:
- 1274 | t1789 = 0.5555555558e-1_dp*t508*t729
- | ^
-Warning: 't729' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:60:
+ 1120 | t146 = t24*t44*t28
+ | ^
+Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:89:
- 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
- | ^
-note: 't729' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1231:51:
+ 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
+ | ^
+note: 't28' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1251:47:
- 1231 | t1714 = 0.5000000001e0_dp*t732*t1712
- | ^
-Warning: 't732' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:66:
+ 1251 | t379 = 2._dp*t372*t16 + 4._dp*t376*t29
+ | ^
+Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:24:
- 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
- | ^
-note: 't732' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1353:31:
+ 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
+ | ^
+note: 't29' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1228:28:
- 1353 | t1966 = t56*t735
- | ^
-Warning: 't735' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:72:
+ 1228 | t332 = 0.1e1_dp/t31
+ | ^
+Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:93:
- 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
- | ^
-note: 't735' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1220:31:
+ 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
+ | ^
+note: 't31' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1128:24:
- 1220 | t1694 = t45*t739
- | ^
-Warning: 't739' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:78:
+ 1128 | t157 = t32*t156
+ | ^
+Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:48:
- 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
- | ^
-note: 't739' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29:
+ 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
+ | ^
+note: 't32' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1130:24:
- 1832 | *t3339
- | ^
-Warning: 't1000' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:273:90:
+ 1130 | t159 = t33*t139
+ | ^
+Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:12:
- 273 | REAL(KIND=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t1000, t1002, &
- | ^
-note: 't1000' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54:
+ 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
+ | ^
+note: 't33' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1140:73:
- 1842 | + 0.3200000000e2_dp*t1055*t3674
- | ^
-Warning: 't1004' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:14:
+ 1140 | /0.3e1_dp*t167*t169 - (5._dp*t40*t175) - (8._dp*t53*t181)
+ | ^
+Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:53:
- 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
- | ^
-note: 't1004' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+ 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
+ | ^
+note: 't34' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1165:26:
- 1851 | *t786*t1034*t1681
- | ^
-Warning: 't1008' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:21:
+ 1165 | t224 = a5*t36*t52
+ | ^
+Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:24:
- 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
- | ^
-note: 't1008' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+ 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
+ | ^
+note: 't36' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1133:24:
- 1851 | *t786*t1034*t1681
- | ^
-Warning: 't1012' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:28:
+ 1133 | t167 = t37*t166
+ | ^
+Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:53:
- 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
- | ^
-note: 't1012' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32:
+ 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
+ | ^
+note: 't37' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1140:73:
- 1765 | t12*t1058
- | ^
-Warning: 't1014' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:35:
+ 1140 | /0.3e1_dp*t167*t169 - (5._dp*t40*t175) - (8._dp*t53*t181)
+ | ^
+Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1005:28:
- 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
- | ^
-note: 't1014' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+ 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, &
+ | ^
+note: 't40' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1145:23:
- 1851 | *t786*t1034*t1681
- | ^
-Warning: 't1021' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:55:
+ 1145 | t190 = t42*t13
+ | ^
+Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1005:87:
- 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
- | ^
-note: 't1021' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+ 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, &
+ | ^
+note: 't42' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1134:23:
- 1851 | *t786*t1034*t1681
- | ^
-Warning: 't1024' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:62:
+ 1134 | t168 = t44*t46
+ | ^
+Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1006:36:
- 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
- | ^
-note: 't1024' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+ 1006 | t428, t430, t434, t438, t44, t441, t445, t454, t457, t458, t46, t465, t467, t47, t5, &
+ | ^
+note: 't44' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1137:28:
- 1851 | *t786*t1034*t1681
- | ^
-Warning: 't1026' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:69:
+ 1137 | t175 = t42*t173*t46
+ | ^
+Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1006:71:
- 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
- | ^
-note: 't1026' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xbecke88.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88.F xc_xbecke88.F90
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+ 1006 | t428, t430, t434, t438, t44, t441, t445, t454, t457, t458, t46, t465, t467, t47, t5, &
+ | ^
+note: 't46' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1166:64:
- 1851 | *t786*t1034*t1681
- | ^
-Warning: 't1030' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:82:
+ 1166 | t227 = 4._dp*t216*t29 + 5._dp*t220*t47 + 6._dp*t224*t63
+ | ^
+Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1006:88:
- 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
- | ^
-note: 't1030' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+ 1006 | t428, t430, t434, t438, t44, t441, t445, t454, t457, t458, t46, t465, t467, t47, t5, &
+ | ^
+note: 't47' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1122:53:
- 1851 | *t786*t1034*t1681
- | ^
-Warning: 't1034' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:96:
+ 1122 | 0.3e1_dp*t140*t142 - (4._dp*t22*t146)
+ | ^
+Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1006:92:
- 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
- | ^
-note: 't1034' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+ 1006 | t428, t430, t434, t438, t44, t441, t445, t454, t457, t458, t46, t465, t467, t47, t5, &
+ | ^
+note: 't5' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1140:73:
- 1851 | *t786*t1034*t1681
- | ^
-Warning: 't1036' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:14:
+ 1140 | /0.3e1_dp*t167*t169 - (5._dp*t40*t175) - (8._dp*t53*t181)
+ | ^
+Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1007:53:
- 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
- | ^
-note: 't1036' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54:
+ 1007 | t504, t508, t509, t515, t516, t52, t520, t53, t535, t54, t543, t552, t56, t567, t574, &
+ | ^
+note: 't53' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1138:31:
- 1842 | + 0.3200000000e2_dp*t1055*t3674
- | ^
-Warning: 't1044' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:34:
+ 1138 | t181 = t58/t59/rho*t61
+ | ^
+Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1008:17:
- 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
- | ^
-note: 't1044' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54:
+ 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, &
+ | ^
+note: 't59' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1138:31:
- 1842 | + 0.3200000000e2_dp*t1055*t3674
- | ^
-Warning: 't1046' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:41:
+ 1138 | t181 = t58/t59/rho*t61
+ | ^
+Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1008:38:
- 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
- | ^
-note: 't1046' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+ 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, &
+ | ^
+note: 't61' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1166:64:
- 1851 | *t786*t1034*t1681
- | ^
-Warning: 't1050' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:54:
+ 1166 | t227 = 4._dp*t216*t29 + 5._dp*t220*t47 + 6._dp*t224*t63
+ | ^
+Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1008:49:
- 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
- | ^
-note: 't1050' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40:
+ 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, &
+ | ^
+note: 't63' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1229:24:
- 2726 | *t1054*t640*t3679
- | ^
-Warning: 't1054' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:61:
+ 1229 | t333 = t332*t65
+ | ^
+Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1008:72:
- 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
- | ^
-note: 't1054' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67:
+ 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, &
+ | ^
+note: 't65' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1169:25:
- 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721
- | ^
-Warning: 't1055' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:68:
+ 1169 | t231 = t66*ndrho
+ | ^
+Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1008:89:
- 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
- | ^
-note: 't1055' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59:
+ 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, &
+ | ^
+note: 't66' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1124:24:
- 2156 | - 0.2400000000e2_dp*t786/t2492*t1058
- | ^
-Warning: 't1058' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:82:
+ 1124 | t151 = t150*t67
+ | ^
+Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1008:94:
- 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
- | ^
-note: 't1058' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40:
+ 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, &
+ | ^
+note: 't67' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1152:81:
- 2726 | *t1054*t640*t3679
- | ^
-Warning: 't1060' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:276:14:
+ 1152 | *t68*t199)
+ | ^
+Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1009:24:
- 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, &
- | ^
-note: 't1060' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39:
+ 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, &
+ | ^
+note: 't68' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1150:28:
- 1858 | *t321*t953*t1625
- | ^
-Warning: 't1063' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:276:21:
+ 1150 | t199 = t69*t197*t71
+ | ^
+Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1009:35:
- 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, &
- | ^
-note: 't1063' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29:
+ 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, &
+ | ^
+note: 't69' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1252:24:
- 1832 | *t3339
- | ^
-Warning: 't1064' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:276:28:
+ 1252 | t380 = t70*t379
+ | ^
+Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1009:44:
- 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, &
- | ^
-note: 't1064' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1932:34:
+ 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, &
+ | ^
+note: 't70' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
- 1932 | t1292*t1829
- | ^
-Warning: 't1067' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:276:35:
+ 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
+ | ^
+Warning: 't72' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1009:60:
- 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, &
- | ^
-note: 't1067' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2322:56:
+ 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, &
+ | ^
+note: 't72' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1171:56:
- 2322 | t5320 = 0.3333333336e0_dp*t83*t1071*t4729
+ 1171 | dQndrho = t213*t73 - t157*t229 + 2._dp*t232*t73
| ^
-Warning: 't1071' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:276:55:
+Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1009:65:
- 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, &
- | ^
-note: 't1071' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41:
+ 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, &
+ | ^
+note: 't73' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1172:23:
- 2035 | *t1246*t3244*t1483
- | ^
-Warning: 't1085' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:276:89:
+ 1172 | t235 = t74*f89
+ | ^
+Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1009:70:
- 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, &
- | ^
-note: 't1085' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60:
+ 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, &
+ | ^
+note: 't74' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1234:70:
- 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410
- | ^
-Warning: 't1093' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:14:
+ 1234 | e_rho = e_rho + (-0.4e1_dp/0.3e1_dp*t235*t122 - t76*t340)*sx0
+ | ^
+Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1009:81:
- 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
- | ^
-note: 't1093' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41:
+ 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, &
+ | ^
+note: 't76' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1211:24:
- 1984 | t192*t68*t4256*t65
- | ^
-Warning: 't1097' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:21:
+ 1211 | t311 = t78*t131
+ | ^
+Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1010:24:
- 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
- | ^
-note: 't1097' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60:
+ 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84
+ | ^
+note: 't78' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1182:85:
- 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410
- | ^
-Warning: 't1100' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:40:
+ 1182 | *t248) - t113*t251
+ | ^
+Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1010:29:
- 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
- | ^
-note: 't1100' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41:
+ 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84
+ | ^
+note: 't79' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1176:24:
- 1984 | t192*t68*t4256*t65
- | ^
-Warning: 't1101' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:47:
+ 1176 | t244 = t197*t80
+ | ^
+Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1010:38:
- 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
- | ^
-note: 't1101' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66:
+ 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84
+ | ^
+note: 't80' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1241:53:
- 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451
- | ^
-Warning: 't1106' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:54:
+ 1241 | t352 = 2._dp*t343*t81 + t79*t347 - t113*t350
+ | ^
+Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1010:49:
- 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
- | ^
-note: 't1106' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64:
+ 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84
+ | ^
+note: 't81' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1230:24:
- 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526
- | ^
-Warning: 't1109' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:61:
+ 1230 | t334 = t333*t83
+ | ^
+Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1010:78:
- 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
- | ^
-note: 't1109' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37:
+ 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84
+ | ^
+note: 't83' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1214:24:
- 1955 | *t58*t3796*t71
- | ^
-Warning: 't1111' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:68:
+ 1214 | t317 = t154*t84
+ | ^
+Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1010:83:
- 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
- | ^
-note: 't1111' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67:
+ 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84
+ | ^
+note: 't84' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1188:35:
- 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119
- | ^
-Warning: 't1119' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:75:
+ 1188 | t266 = t263*t66 - t86*t250
+ | ^
+Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1011:56:
- 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
- | ^
-note: 't1119' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66:
+ 1011 | REAL(KIND=dp) :: t847, t848, t849, t851, t852, t86, t865, t871, t874, t88, t89, t9, t902, &
+ | ^
+note: 't86' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1186:24:
- 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726
- | ^
-Warning: 't1122' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:88:
+ 1186 | t260 = t197*t88
+ | ^
+Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1011:79:
- 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
- | ^
-note: 't1122' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67:
+ 1011 | REAL(KIND=dp) :: t847, t848, t849, t851, t852, t86, t865, t871, t874, t88, t89, t9, t902, &
+ | ^
+note: 't88' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1245:47:
- 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119
- | ^
-Warning: 't1125' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:95:
+ 1245 | t364 = f12*(2._dp*t343*t89 + t79*t361)
+ | ^
+Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1011:84:
- 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
- | ^
-note: 't1125' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37:
+ 1011 | REAL(KIND=dp) :: t847, t848, t849, t851, t852, t86, t865, t871, t874, t88, t89, t9, t902, &
+ | ^
+note: 't89' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1116:27:
- 1955 | *t58*t3796*t71
- | ^
-Warning: 't1126' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:14:
+ 1116 | t139 = t21/t9/t136
+ | ^
+Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1011:88:
- 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
- | ^
-note: 't1126' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64:
+ 1011 | REAL(KIND=dp) :: t847, t848, t849, t851, t852, t86, t865, t871, t874, t88, t89, t9, t902, &
+ | ^
+note: 't9' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1233:59:
- 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526
- | ^
-Warning: 't1129' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:21:
+ 1233 | *t107*t301 + t111*(t304 + t329*t335))*Clda
+ | ^
+Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1012:24:
- 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
- | ^
-note: 't1129' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66:
+ 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989
+ | ^
+note: 't92' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1204:22:
- 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726
- | ^
-Warning: 't1134' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:28:
+ 1204 | t299 = t93**2
+ | ^
+Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1012:29:
- 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
- | ^
-note: 't1134' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66:
+ 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989
+ | ^
+note: 't93' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1183:24:
- 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726
- | ^
-Warning: 't1137' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:35:
+ 1183 | t254 = t94*t253
+ | ^
+Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1012:34:
- 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
- | ^
-note: 't1137' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2796:40:
+ 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989
+ | ^
+note: 't94' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1233:59:
- 2796 | t6596 = t5247*t1141*t4733
- | ^
-Warning: 't1141' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:55:
+ 1233 | *t107*t301 + t111*(t304 + t329*t335))*Clda
+ | ^
+Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1012:39:
- 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
- | ^
-note: 't1141' 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 May 3 07:30:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_optx.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_optx.F90
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76:
+ 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989
+ | ^
+note: 't95' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1197:24:
- 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160)
- | ^
-Warning: 't1142' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:62:
+ 1197 | t283 = t97*t124
+ | ^
+Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1012:44:
- 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
- | ^
-note: 't1142' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2506:57:
+ 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989
+ | ^
+note: 't97' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1200:55:
- 2506 | t5801 = 0.3600000000e2_dp*t1143*t479*t5002
- | ^
-Warning: 't1143' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:69:
+ 1200 | /0.3e1_dp*t288*t142 - (4._dp*t101*t146)
+ | ^
+Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1012:49:
- 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
- | ^
-note: 't1143' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2529:57:
+ 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989
+ | ^
+note: 't98' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 2529 | t5864 = 0.1800000000e2_dp*t473*t1150*t4729
- | ^
-Warning: 't1150' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:82:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:31:
- 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
- | ^
-note: 't1150' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29:
+ 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, &
+ | ^
+note: 't124' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1283:55:
- 1976 | *t3382
- | ^
-Warning: 't1157' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:89:
+ 1283 | /0.3e1_dp*t140*t434 + (20._dp*t22*t438)
+ | ^
+Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:37:
- 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
- | ^
-note: 't1157' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39:
+ 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, &
+ | ^
+note: 't125' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 1966 | *t478*t183*t3918
- | ^
-Warning: 't1161' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:279:14:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:43:
- 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193
- | ^
-note: 't1161' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41:
+ 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, &
+ | ^
+note: 't126' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1294:49:
- 2035 | *t1246*t3244*t1483
- | ^
-Warning: 't1168' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:279:21:
+ 1294 | t12*t61)
+ | ^
+Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:49:
- 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193
- | ^
-note: 't1168' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41:
+ 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, &
+ | ^
+note: 't129' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1297:24:
- 2035 | *t1246*t3244*t1483
- | ^
-Warning: 't1172' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:279:28:
+ 1297 | t515 = t42*t130
+ | ^
+Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:60:
- 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193
- | ^
-note: 't1172' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2512:57:
+ 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, &
+ | ^
+note: 't130' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1398:132:
- 2512 | t5819 = 0.1800000000e2_dp*t478*t1176*t4729
- | ^
-Warning: 't1176' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:279:35:
+ 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395
+ | ^
+Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:66:
- 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193
- | ^
-note: 't1176' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70:
+ 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, &
+ | ^
+note: 't131' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267
- | ^
-Warning: 't1189' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:279:42:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:72:
- 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193
- | ^
-note: 't1189' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66:
+ 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, &
+ | ^
+note: 't132' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235
- | ^
-Warning: 't1192' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:279:62:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't139' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:90:
- 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193
- | ^
-note: 't1192' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66:
+ 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, &
+ | ^
+note: 't139' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1283:55:
- 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451
- | ^
-Warning: 't1193' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:279:69:
+ 1283 | /0.3e1_dp*t140*t434 + (20._dp*t22*t438)
+ | ^
+Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:13:
- 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193
- | ^
-note: 't1193' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66:
+ 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
+ | ^
+note: 't140' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1278:25:
- 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235
- | ^
-Warning: 't1194' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:280:28:
+ 1278 | t430 = t141*t135
+ | ^
+Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:19:
- 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, &
- | ^
-note: 't1194' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66:
+ 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
+ | ^
+note: 't141' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726
- | ^
-Warning: 't1200' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:280:40:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:25:
- 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, &
- | ^
-note: 't1200' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67:
+ 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
+ | ^
+note: 't142' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119
- | ^
-Warning: 't1201' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:280:47:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:31:
- 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, &
- | ^
-note: 't1201' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37:
+ 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
+ | ^
+note: 't146' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
- 1955 | *t58*t3796*t71
+ 1380 | *t331*t333*t253)
+ | ^
+Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:37:
+
+ 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
| ^
-Warning: 't1207' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:280:61:
+note: 't149' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
- 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, &
- | ^
-note: 't1207' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41:
+ 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
+ | ^
+Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:48:
- 1984 | t192*t68*t4256*t65
- | ^
-Warning: 't1213' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:280:75:
+ 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
+ | ^
+note: 't150' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1305:53:
- 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, &
- | ^
-note: 't1213' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64:
+ 1305 | t193 + 0.6e1_dp*t68*t69*t520*t71
+ | ^
+Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:54:
- 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526
- | ^
-Warning: 't1216' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:280:82:
+ 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
+ | ^
+note: 't151' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1285:33:
- 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, &
- | ^
-note: 't1216' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67:
+ 1285 | t454 = 0.1e1_dp/t153/t65
+ | ^
+Warning: 't153' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:60:
- 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119
- | ^
-Warning: 't1221' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:280:95:
+ 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
+ | ^
+note: 't153' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1331:24:
- 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, &
- | ^
-note: 't1221' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66:
+ 1331 | t656 = t31*t154
+ | ^
+Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:66:
- 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726
+ 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
| ^
-Warning: 't1224' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:14:
+note: 't154' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1308:25:
- 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
- | ^
-note: 't1224' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66:
+ 1308 | t543 = t212*t156
+ | ^
+Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:72:
- 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235
- | ^
-Warning: 't1235' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:27:
+ 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
+ | ^
+note: 't156' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
- 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
- | ^
-note: 't1235' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2498:59:
+ 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
+ | ^
+Warning: 't157' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:78:
- 2498 | t5776 = 0.2777777778e-1_dp*t1246*t1247*t5009
- | ^
-Warning: 't1246' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:48:
+ 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
+ | ^
+note: 't157' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1326:63:
- 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
- | ^
-note: 't1246' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71:
+ 1326 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158
+ | ^
+Warning: 't158' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:84:
- 2062 | *t3507 - t3512)*t149*t160
- | ^
-Warning: 't1247' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:55:
+ 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
+ | ^
+note: 't158' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1294:49:
- 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
- | ^
-note: 't1247' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66:
+ 1294 | t12*t61)
+ | ^
+Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:90:
- 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410
- | ^
-Warning: 't1264' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:75:
+ 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
+ | ^
+note: 't159' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1295:24:
- 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
- | ^
-note: 't1264' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71:
+ 1295 | t508 = t165*t13
+ | ^
+Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:13:
- 2062 | *t3507 - t3512)*t149*t160
- | ^
-Warning: 't1275' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:89:
+ 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
+ | ^
+note: 't165' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1312:34:
- 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
- | ^
-note: 't1275' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2020:39:
+ 1312 | (48._dp*t224*t181)
+ | ^
+Warning: 't166' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:19:
- 2020 | *t429*t1928*t290
- | ^
-Warning: 't1283' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:96:
+ 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
+ | ^
+note: 't166' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1294:49:
- 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
- | ^
-note: 't1283' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44:
+ 1294 | t12*t61)
+ | ^
+Warning: 't167' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:25:
- 2043 | + (2*t147*t1284*t672)
- | ^
-Warning: 't1284' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:14:
+ 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
+ | ^
+note: 't167' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1294:49:
- 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
- | ^
-note: 't1284' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2365:57:
+ 1294 | t12*t61)
+ | ^
+Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:31:
- 2365 | t5429 = 0.1666666667e0_dp*t445*t1292*t5143
- | ^
-Warning: 't1292' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:28:
+ 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
+ | ^
+note: 't168' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1312:34:
- 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
- | ^
-note: 't1292' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54:
+ 1312 | (48._dp*t224*t181)
+ | ^
+Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:37:
- 2717 | + 0.4500000000e1_dp*t2009*t4744
- | ^
-Warning: 't1300' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:46:
+ 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
+ | ^
+note: 't169' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1294:49:
- 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
- | ^
-note: 't1300' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1901:33:
+ 1294 | t12*t61)
+ | ^
+Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:43:
- 1901 | t3939 = t1301*t245
- | ^
-Warning: 't1301' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:53:
+ 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
+ | ^
+note: 't173' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1312:34:
- 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
- | ^
-note: 't1301' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2464:57:
+ 1312 | (48._dp*t224*t181)
+ | ^
+Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:49:
- 2464 | t5679 = 0.1875000000e1_dp*t1302*t406*t5002
- | ^
-Warning: 't1302' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:60:
+ 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
+ | ^
+note: 't175' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1312:34:
- 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
+ 1312 | (48._dp*t224*t181)
+ | ^
+Warning: 't181' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:60:
+
+ 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
| ^
-note: 't1302' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2460:57:
+note: 't181' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1403:32:
- 2460 | t5670 = 0.2250000000e1_dp*t400*t1309*t4729
- | ^
-Warning: 't1309' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:67:
+ 1403 | *t114*t321*t909
+ | ^
+Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:66:
- 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
- | ^
-note: 't1309' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34:
+ 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
+ | ^
+note: 't184' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1305:53:
- 1924 | t1320*t1483
- | ^
-Warning: 't1316' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:80:
+ 1305 | t193 + 0.6e1_dp*t68*t69*t520*t71
+ | ^
+Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:72:
- 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
- | ^
-note: 't1316' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34:
+ 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
+ | ^
+note: 't185' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
- 1924 | t1320*t1483
- | ^
-Warning: 't1320' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:93:
+ 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
+ | ^
+Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:78:
- 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
- | ^
-note: 't1320' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2449:57:
+ 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
+ | ^
+note: 't186' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
- 2449 | t5641 = 0.1500000000e1_dp*t405*t1333*t4729
- | ^
-Warning: 't1333' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:20:
+ 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
+ | ^
+Warning: 't188' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:84:
- 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
- | ^
-note: 't1333' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40:
+ 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
+ | ^
+note: 't188' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1305:53:
- 1911 | *t400*t1333*t1410
- | ^
-Warning: 't1340' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:27:
+ 1305 | t193 + 0.6e1_dp*t68*t69*t520*t71
+ | ^
+Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:90:
- 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
- | ^
-note: 't1340' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66:
+ 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
+ | ^
+note: 't189' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1384:25:
- 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410
- | ^
-Warning: 't1348' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:41:
+ 1384 | t874 = t342*t190
+ | ^
+Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:13:
- 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
- | ^
-note: 't1348' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58:
+ 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
+ | ^
+note: 't190' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1398:132:
- 2052 | + 0.3333333334e0_dp*t165*t437*t1688
- | ^
-Warning: 't1360' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:54:
+ 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395
+ | ^
+Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:19:
- 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
- | ^
-note: 't1360' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38:
+ 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
+ | ^
+note: 't191' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
- 1784 | t165*t171*t3449
- | ^
-Warning: 't1368' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:68:
+ 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
+ | ^
+Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:31:
- 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
- | ^
-note: 't1368' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2505:40:
+ 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
+ | ^
+note: 't194' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
- 2505 | t5797 = t1373*t1962*t1829
- | ^
-Warning: 't1373' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:88:
+ 1392 | *t902 - t113*t114*t906
+ | ^
+Warning: 't197' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:37:
- 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
- | ^
-note: 't1373' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41:
+ 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
+ | ^
+note: 't197' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
- 2035 | *t1246*t3244*t1483
- | ^
-Warning: 't1377' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:95:
+ 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
+ | ^
+Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:43:
- 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
- | ^
-note: 't1377' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60:
+ 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
+ | ^
+note: 't199' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1307:72:
- 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410
- | ^
-Warning: 't1387' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:284:14:
+ 1307 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146)
+ | ^
+Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:58:
- 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, &
- | ^
-note: 't1387' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44:
+ 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
+ | ^
+note: 't202' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1307:72:
- 2043 | + (2*t147*t1284*t672)
- | ^
-Warning: 't1388' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:284:21:
+ 1307 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146)
+ | ^
+Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:64:
- 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, &
- | ^
-note: 't1388' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2442:57:
+ 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
+ | ^
+note: 't203' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1404:30:
- 2442 | t5622 = 0.1666666667e0_dp*t165*t1392*t4729
- | ^
-Warning: 't1392' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:284:28:
+ 1404 | t1056 = 0.1e1_dp/t206
+ | ^
+Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:70:
- 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, &
- | ^
-note: 't1392' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96:
+ 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
+ | ^
+note: 't206' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1307:72:
- 2099 | t3869 + t4657 + t4696)
- | ^
-Warning: 't1409' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:284:81:
+ 1307 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146)
+ | ^
+Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:76:
- 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, &
- | ^
-note: 't1409' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2219:56:
+ 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
+ | ^
+note: 't207' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1307:72:
- 2219 | t5022 = 0.1666666667e0_dp*t429*t679*t1410
- | ^
-Warning: 't1410' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:284:94:
+ 1307 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146)
+ | ^
+Warning: 't208' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:27:
- 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, &
- | ^
-note: 't1410' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96:
+ 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
+ | ^
+note: 't208' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1405:31:
- 2099 | t3869 + t4657 + t4696)
- | ^
-Warning: 't1411' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:14:
+ 1405 | t1062 = t851*t852*t211
+ | ^
+Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:38:
- 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
- | ^
-note: 't1411' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2380:51:
+ 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
+ | ^
+note: 't211' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1326:63:
- 2380 | t5468 = 0.2346666666e3_dp*t605*t1420
- | ^
-Warning: 't1420' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:35:
+ 1326 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158
+ | ^
+Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:44:
- 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
- | ^
-note: 't1420' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2385:55:
+ 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
+ | ^
+note: 't212' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
- 2385 | t5478 = 0.240e2_dp*t1616*t973*t645*t1425
- | ^
-Warning: 't1425' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:42:
+ 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
+ | ^
+Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:50:
- 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
- | ^
-note: 't1425' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2162:56:
+ 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
+ | ^
+note: 't213' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1312:34:
- 2162 | t102*t4838 - 0.20e1_dp*t102*t4850
+ 1312 | (48._dp*t224*t181)
+ | ^
+Warning: 't215' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:56:
+
+ 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
| ^
-Warning: 't1426' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:49:
+note: 't215' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1312:34:
- 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
- | ^
-note: 't1426' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+ 1312 | (48._dp*t224*t181)
+ | ^
+Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:62:
- 1851 | *t786*t1034*t1681
- | ^
-Warning: 't1429' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:56:
+ 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
+ | ^
+note: 't216' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1312:34:
- 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
- | ^
-note: 't1429' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66:
+ 1312 | (48._dp*t224*t181)
+ | ^
+Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:68:
- 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681
- | ^
-Warning: 't1438' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:70:
+ 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
+ | ^
+note: 't219' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1312:34:
- 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
- | ^
-note: 't1438' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1843:34:
+ 1312 | (48._dp*t224*t181)
+ | ^
+Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:79:
- 1843 | t3679 = t2565*t1439
+ 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-2024.2/src/xc/xc_xwpbe.F:1312:34:
+
+ 1312 | (48._dp*t224*t181)
| ^
-Warning: 't1439' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:77:
+Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:85:
- 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
- | ^
-note: 't1439' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59:
+ 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
+ | ^
+note: 't224' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1436:56:
- 2156 | - 0.2400000000e2_dp*t786/t2492*t1058
- | ^
-Warning: 't1440' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:90:
+ 1436 | *t114*t820*t1076 - t113*t114*t321*t1101
+ | ^
+Warning: 't227' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:91:
- 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
- | ^
-note: 't1440' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2426:53:
+ 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
+ | ^
+note: 't227' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
- 2426 | t5579 = 0.80e1_dp*t102*t327*t645*t1443
- | ^
-Warning: 't1443' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:97:
+ 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
+ | ^
+Warning: 't228' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:97:
- 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
+ 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
| ^
-note: 't1443' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2407:45:
+note: 't228' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1326:63:
- 2407 | t5535 = 0.640e2_dp*t1582*t1444
- | ^
-Warning: 't1444' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:286:14:
+ 1326 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158
+ | ^
+Warning: 't229' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:13:
- 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470
- | ^
-note: 't1444' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2515:57:
+ 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
+ | ^
+note: 't229' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1326:63:
- 2515 | t5828 = 0.3600000000e2_dp*t473*t1801*t1447
- | ^
-Warning: 't1447' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:286:21:
+ 1326 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158
+ | ^
+Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:19:
- 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470
- | ^
-note: 't1447' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38:
+ 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
+ | ^
+note: 't231' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
- 2234 | + t5032 + t5035
- | ^
-Warning: 't1459' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:286:48:
+ 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
+ | ^
+Warning: 't232' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:25:
- 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470
- | ^
-note: 't1459' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38:
+ 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
+ | ^
+note: 't232' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1423:88:
- 2234 | + t5032 + t5035
+ 1423 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t235*t408 - t76*t1073*Clda)*sx0
+ | ^
+Warning: 't235' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:31:
+
+ 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
+ | ^
+note: 't235' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
+
+ 1392 | *t902 - t113*t114*t906
| ^
-Warning: 't1466' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:286:61:
+Warning: 't238' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:37:
- 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470
- | ^
-note: 't1466' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38:
+ 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
+ | ^
+note: 't238' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
- 1784 | t165*t171*t3449
+ 1392 | *t902 - t113*t114*t906
| ^
-Warning: 't1470' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:286:74:
+Warning: 't240' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:48:
- 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470
- | ^
-note: 't1470' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38:
+ 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
+ | ^
+note: 't240' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
- 2234 | + t5032 + t5035
+ 1392 | *t902 - t113*t114*t906
| ^
-Warning: 't1471' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:287:28:
+Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:54:
- 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, &
- | ^
-note: 't1471' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2634:59:
+ 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
+ | ^
+note: 't241' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
- 2634 | t6112 = 0.5555555556e-1_dp*t1246*t4553*t1483
- | ^
-Warning: 't1483' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:287:56:
+ 1392 | *t902 - t113*t114*t906
+ | ^
+Warning: 't244' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:60:
- 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, &
- | ^
-note: 't1483' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2172:57:
+ 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
+ | ^
+note: 't244' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1357:94:
- 2172 | t4887 = 0.1800000000e2_dp*t473*t1493*t4729
- | ^
-Warning: 't1493' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:287:90:
+ 1357 | *t114*t820*t640) - (t113*t114*t321*t681)
+ | ^
+Warning: 't247' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:66:
- 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, &
- | ^
-note: 't1493' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2175:39:
+ 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
+ | ^
+note: 't247' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
- 2175 | t4895 = t478*t1500*t4729
- | ^
-Warning: 't1500' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:288:32:
+ 1392 | *t902 - t113*t114*t906
+ | ^
+Warning: 't248' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:72:
- 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, &
- | ^
-note: 't1500' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2540:37:
+ 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
+ | ^
+note: 't248' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
- 2540 | t5898 = t705*t1504*t65
- | ^
-Warning: 't1504' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:288:46:
+ 1392 | *t902 - t113*t114*t906
+ | ^
+Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:83:
- 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, &
- | ^
-note: 't1504' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2557:38:
+ 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
+ | ^
+note: 't250' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
- 2557 | t5938 = t192*t728*t1505
+ 1392 | *t902 - t113*t114*t906
| ^
-Warning: 't1505' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:288:53:
+Warning: 't251' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:89:
- 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, &
- | ^
-note: 't1505' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2182:57:
+ 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
+ | ^
+note: 't251' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 2182 | t4907 = 0.2250000000e2_dp*t1506*t471*t4905
- | ^
-Warning: 't1506' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:288:60:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't253' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:95:
- 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, &
- | ^
-note: 't1506' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2185:52:
+ 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
+ | ^
+note: 't253' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1403:32:
- 2185 | t4911 = 0.8999999998e1_dp*t1507*t4909
- | ^
-Warning: 't1507' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:288:67:
+ 1403 | *t114*t321*t909
+ | ^
+Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:13:
- 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, &
- | ^
-note: 't1507' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41:
+ 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
+ | ^
+note: 't254' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
- 1984 | t192*t68*t4256*t65
- | ^
-Warning: 't1510' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:288:87:
+ 1380 | *t331*t333*t253)
+ | ^
+Warning: 't256' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:19:
- 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, &
- | ^
-note: 't1510' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2191:52:
+ 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
+ | ^
+note: 't256' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 2191 | t4925 = 0.5000000001e0_dp*t1513*t4908
- | ^
-Warning: 't1513' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:289:14:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't257' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:25:
- 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, &
- | ^
-note: 't1513' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2590:39:
+ 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
+ | ^
+note: 't257' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 2590 | t6021 = t649*t1518*t1722
- | ^
-Warning: 't1518' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:289:35:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't260' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:36:
- 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, &
- | ^
-note: 't1518' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2613:42:
+ 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
+ | ^
+note: 't260' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 2613 | t6066 = t1519*t705*t561*t65
- | ^
-Warning: 't1519' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:289:42:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't263' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:42:
- 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, &
+ 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
| ^
-note: 't1519' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2568:34:
+note: 't263' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
- 2568 | t5964 = t1715*t1525
- | ^
-Warning: 't1525' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:289:56:
+ 1380 | *t331*t333*t253)
+ | ^
+Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:48:
- 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, &
- | ^
-note: 't1525' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2193:52:
+ 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
+ | ^
+note: 't266' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 2193 | t4932 = 0.5000000001e0_dp*t1528*t4908
- | ^
-Warning: 't1528' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:289:63:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't267' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:54:
- 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, &
- | ^
-note: 't1528' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60:
+ 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
+ | ^
+note: 't267' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't270' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:60:
+
+ 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
| ^
-Warning: 't1531' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:289:77:
+note: 't270' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
- 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, &
- | ^
-note: 't1531' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2165:42:
+ 1380 | *t331*t333*t253)
+ | ^
+Warning: 't272' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:66:
- 2165 | t4864 = t217*t46*t1535*t561
- | ^
-Warning: 't1535' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:289:84:
+ 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
+ | ^
+note: 't272' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, &
- | ^
-note: 't1535' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't273' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:72:
- 2099 | t3869 + t4657 + t4696)
- | ^
-Warning: 't1536' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:289:91:
+ 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
+ | ^
+note: 't273' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
- 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, &
- | ^
-note: 't1536' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39:
+ 1380 | *t331*t333*t253)
+ | ^
+Warning: 't276' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:78:
- 2080 | *t289*t294*t1553
- | ^
-Warning: 't1546' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:290:35:
+ 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
+ | ^
+note: 't276' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, &
- | ^
-note: 't1546' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't277' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:84:
- 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314
- | ^
-Warning: 't1547' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:290:42:
+ 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
+ | ^
+note: 't277' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, &
- | ^
-note: 't1547' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2658:56:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't280' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:95:
- 2658 | t6185 = 0.3333333336e0_dp*t289*t597*t1553
- | ^
-Warning: 't1553' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:290:69:
+ 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
+ | ^
+note: 't280' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
- 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, &
- | ^
-note: 't1553' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2667:56:
+ 1380 | *t331*t333*t253)
+ | ^
+Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:13:
- 2667 | t6201 = 0.3333333336e0_dp*t289*t597*t1557
- | ^
-Warning: 't1557' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:290:83:
+ 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
+ | ^
+note: 't283' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
- 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, &
- | ^
-note: 't1557' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42:
+ 1380 | *t331*t333*t253)
+ | ^
+Warning: 't288' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:19:
- 2088 | *t83*t45*t3581*t140
- | ^
-Warning: 't1564' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:291:21:
+ 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
+ | ^
+note: 't288' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
- 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, &
- | ^
-note: 't1564' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39:
+ 1380 | *t331*t333*t253)
+ | ^
+Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:30:
- 1894 | *t165*t3865*t237
- | ^
-Warning: 't1565' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:291:28:
+ 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
+ | ^
+note: 't293' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, &
- | ^
-note: 't1565' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:36:
- 1894 | *t165*t3865*t237
- | ^
-Warning: 't1568' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:291:35:
+ 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
+ | ^
+note: 't294' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, &
- | ^
-note: 't1568' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2653:56:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:42:
- 2653 | t6170 = 0.3333333336e0_dp*t289*t597*t1571
- | ^
-Warning: 't1571' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:291:49:
+ 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
+ | ^
+note: 't297' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1341:33:
- 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, &
- | ^
-note: 't1571' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42:
+ 1341 | t759 = 0.1e1_dp/t299/t83
+ | ^
+Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:48:
- 2088 | *t83*t45*t3581*t140
- | ^
-Warning: 't1575' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:291:63:
+ 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
+ | ^
+note: 't299' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
- 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, &
- | ^
-note: 't1575' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2375:46:
+ 1380 | *t331*t333*t253)
+ | ^
+Warning: 't300' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:58:
- 2375 | t5456 = 0.1280e3_dp*t1582*t1426
- | ^
-Warning: 't1582' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:291:91:
+ 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
+ | ^
+note: 't300' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, &
- | ^
-note: 't1582' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't301' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:64:
- 1866 | *t339*t969
- | ^
-Warning: 't1589' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:292:35:
+ 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
+ | ^
+note: 't301' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
- 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, &
- | ^
-note: 't1589' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2417:52:
+ 1392 | *t902 - t113*t114*t906
+ | ^
+Warning: 't305' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:76:
- 2417 | t5560 = 0.2346666666e3_dp*t1589*t1592
- | ^
-Warning: 't1592' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:292:49:
+ 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
+ | ^
+note: 't305' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1398:132:
- 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, &
- | ^
-note: 't1592' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70:
+ 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395
+ | ^
+Warning: 't307' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:82:
- 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631
- | ^
-Warning: 't1597' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:292:70:
+ 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
+ | ^
+note: 't307' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1398:132:
- 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, &
- | ^
-note: 't1597' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70:
+ 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395
+ | ^
+Warning: 't308' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:88:
- 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631
- | ^
-Warning: 't1598' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:292:77:
+ 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
+ | ^
+note: 't308' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
- 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, &
- | ^
-note: 't1598' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2414:49:
+ 1392 | *t902 - t113*t114*t906
+ | ^
+Warning: 't311' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:13:
- 2414 | t5551 = 0.1280e3_dp*t24*t298*t1599
- | ^
-Warning: 't1599' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:292:84:
+ 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
+ | ^
+note: 't311' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1339:30:
- 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, &
- | ^
-note: 't1599' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29:
+ 1339 | t113*t114*t678
+ | ^
+Warning: 't314' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:19:
- 1832 | *t3339
- | ^
-Warning: 't1602' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:293:21:
+ 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
+ | ^
+note: 't314' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1398:132:
- 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613
- | ^
-note: 't1602' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2373:44:
+ 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395
+ | ^
+Warning: 't315' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:25:
- 2373 | t5451 = 0.640e2_dp*t605*t1603
- | ^
-Warning: 't1603' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:293:28:
+ 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
+ | ^
+note: 't315' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1357:94:
- 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613
- | ^
-note: 't1603' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2384:51:
+ 1357 | *t114*t820*t640) - (t113*t114*t321*t681)
+ | ^
+Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:31:
- 2384 | t5474 = 0.4266666668e2_dp*t339*t1608
- | ^
-Warning: 't1608' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:293:49:
+ 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
+ | ^
+note: 't317' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1403:32:
- 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613
- | ^
-note: 't1608' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2403:51:
+ 1403 | *t114*t321*t909
+ | ^
+Warning: 't318' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:37:
- 2403 | t5525 = 0.2133333334e2_dp*t339*t1611
- | ^
-Warning: 't1611' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:293:69:
+ 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
+ | ^
+note: 't318' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1403:32:
- 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613
- | ^
-note: 't1611' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
+ 1403 | *t114*t321*t909
+ | ^
+Warning: 't319' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:43:
- 1866 | *t339*t969
- | ^
-Warning: 't1616' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:294:35:
+ 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
+ | ^
+note: 't319' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1357:94:
- 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, &
- | ^
-note: 't1616' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39:
+ 1357 | *t114*t820*t640) - (t113*t114*t321*t681)
+ | ^
+Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:54:
- 1858 | *t321*t953*t1625
- | ^
-Warning: 't1617' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:294:42:
+ 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
+ | ^
+note: 't321' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1403:32:
- 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, &
- | ^
-note: 't1617' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2371:47:
+ 1403 | *t114*t321*t909
+ | ^
+Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:60:
- 2371 | t5446 = 0.480e2_dp*t24*t23*t1618
- | ^
-Warning: 't1618' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:294:49:
+ 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
+ | ^
+note: 't322' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1403:32:
- 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, &
- | ^
-note: 't1618' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39:
+ 1403 | *t114*t321*t909
+ | ^
+Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:66:
- 1858 | *t321*t953*t1625
- | ^
-Warning: 't1621' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:294:63:
+ 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
+ | ^
+note: 't323' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, &
- | ^
-note: 't1621' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2408:44:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:72:
- 2408 | t5537 = 0.160e2_dp*t112*t1622
- | ^
-Warning: 't1622' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:294:70:
+ 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
+ | ^
+note: 't325' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, &
- | ^
-note: 't1622' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:78:
- 1858 | *t321*t953*t1625
- | ^
-Warning: 't1625' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:294:84:
+ 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
+ | ^
+note: 't326' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1359:25:
- 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, &
+ 1359 | t848 = t327*t847
+ | ^
+Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:84:
+
+ 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
| ^
-note: 't1625' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2405:44:
+note: 't327' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
- 2405 | t5531 = 0.160e2_dp*t112*t1626
- | ^
-Warning: 't1626' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:294:91:
+ 1445 | + t403*t1066 + t403*t1069)
+ | ^
+Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:90:
- 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, &
- | ^
-note: 't1626' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70:
+ 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
+ | ^
+note: 't328' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631
- | ^
-Warning: 't1631' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:295:28:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:96:
- 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, &
- | ^
-note: 't1631' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2406:44:
+ 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
+ | ^
+note: 't329' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
- 2406 | t5533 = 0.160e2_dp*t112*t1632
- | ^
-Warning: 't1632' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:295:35:
+ 1380 | *t331*t333*t253)
+ | ^
+Warning: 't330' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:18:
- 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, &
- | ^
-note: 't1632' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66:
+ 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
+ | ^
+note: 't330' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1406:35:
- 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681
- | ^
-Warning: 't1640' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:295:69:
+ 1406 | t1066 = t331*t332*t227*t83
+ | ^
+Warning: 't331' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:24:
- 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, &
- | ^
-note: 't1640' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2387:49:
+ 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
+ | ^
+note: 't331' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1406:35:
- 2387 | t5482 = 0.2160000000e3_dp*t7*t1642
- | ^
-Warning: 't1642' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:295:76:
+ 1406 | t1066 = t331*t332*t227*t83
+ | ^
+Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:30:
- 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, &
- | ^
-note: 't1642' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2162:56:
+ 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
+ | ^
+note: 't332' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1407:31:
- 2162 | t102*t4838 - 0.20e1_dp*t102*t4850
- | ^
-Warning: 't1645' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:295:90:
+ 1407 | t1069 = t331*t333*t352
+ | ^
+Warning: 't333' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:36:
- 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, &
- | ^
-note: 't1645' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2389:54:
+ 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
+ | ^
+note: 't333' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
- 2389 | t5487 = 0.2160000000e3_dp*t7*t995*t1652
- | ^
-Warning: 't1652' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:296:27:
+ 1380 | *t331*t333*t253)
+ | ^
+Warning: 't334' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:42:
- 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, &
- | ^
-note: 't1652' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2390:52:
+ 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
+ | ^
+note: 't334' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
- 2390 | t5489 = 0.1600000000e2_dp*t1429*t1658
- | ^
-Warning: 't1658' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:296:48:
+ 1445 | + t403*t1066 + t403*t1069)
+ | ^
+Warning: 't335' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:48:
- 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, &
+ 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
| ^
-note: 't1658' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2396:52:
+note: 't335' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1382:54:
- 2396 | t5507 = 0.120e2_dp*t7*t640*t1667*t371
- | ^
-Warning: 't1667' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:296:82:
+ 1382 | - t76*t865*Clda)*sx0
+ | ^
+Warning: 't340' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:59:
- 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, &
- | ^
-note: 't1667' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2394:44:
+ 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
+ | ^
+note: 't340' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1398:132:
- 2394 | t5499 = 0.120e2_dp*t550*t1669
- | ^
-Warning: 't1669' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:296:89:
+ 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395
+ | ^
+Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:65:
- 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, &
- | ^
-note: 't1669' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2392:49:
+ 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
+ | ^
+note: 't342' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
- 2392 | t5494 = 0.6400000000e2_dp*t7*t1677
- | ^
-Warning: 't1677' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:297:21:
+ 1392 | *t902 - t113*t114*t906
+ | ^
+Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:71:
- 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, &
- | ^
-note: 't1677' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2398:38:
+ 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
+ | ^
+note: 't343' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1398:132:
- 2398 | t5511 = t1680*t3673*t23
- | ^
-Warning: 't1680' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:297:35:
+ 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395
+ | ^
+Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:77:
- 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, &
- | ^
-note: 't1680' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2393:38:
+ 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
+ | ^
+note: 't346' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1430:41:
- 2393 | t5496 = t366*t368*t1681
- | ^
-Warning: 't1681' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:297:42:
+ 1430 | *t1094 - t113*t114*t1098
+ | ^
+Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:83:
- 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, &
- | ^
-note: 't1681' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
+ 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
+ | ^
+note: 't347' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
- 1866 | *t339*t969
- | ^
-Warning: 't1684' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:297:49:
+ 1445 | + t403*t1066 + t403*t1069)
+ | ^
+Warning: 't349' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:89:
- 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, &
- | ^
-note: 't1684' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2420:33:
+ 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
+ | ^
+note: 't349' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1430:41:
- 2420 | t5565 = t112*t1685
- | ^
-Warning: 't1685' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:297:56:
+ 1430 | *t1094 - t113*t114*t1098
+ | ^
+Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:95:
- 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, &
+ 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
+ | ^
+note: 't350' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1436:56:
+
+ 1436 | *t114*t820*t1076 - t113*t114*t321*t1101
| ^
-note: 't1685' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58:
+Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:13:
- 2052 | + 0.3333333334e0_dp*t165*t437*t1688
- | ^
-Warning: 't1688' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:297:63:
+ 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
+ | ^
+note: 't352' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
- 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, &
- | ^
-note: 't1688' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71:
+ 1445 | + t403*t1066 + t403*t1069)
+ | ^
+Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:19:
- 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314
- | ^
-Warning: 't1689' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:297:70:
+ 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
+ | ^
+note: 't357' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, &
- | ^
-note: 't1689' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2329:55:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't360' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:30:
- 2329 | t5338 = 0.6666666672e0_dp*t55*t1694*t561
- | ^
-Warning: 't1694' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:297:84:
+ 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
+ | ^
+note: 't360' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
- 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, &
- | ^
-note: 't1694' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71:
+ 1445 | + t403*t1066 + t403*t1069)
+ | ^
+Warning: 't361' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:36:
- 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314
- | ^
-Warning: 't1700' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:298:32:
+ 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
+ | ^
+note: 't361' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
- 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, &
- | ^
-note: 't1700' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39:
+ 1445 | + t403*t1066 + t403*t1069)
+ | ^
+Warning: 't364' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:42:
- 1894 | *t165*t3865*t237
- | ^
-Warning: 't1703' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:298:46:
+ 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
+ | ^
+note: 't364' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
- 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, &
- | ^
-note: 't1703' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42:
+ 1445 | + t403*t1066 + t403*t1069)
+ | ^
+Warning: 't366' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:48:
- 2088 | *t83*t45*t3581*t140
- | ^
-Warning: 't1706' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:298:60:
+ 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
+ | ^
+note: 't366' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, &
- | ^
-note: 't1706' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't371' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:59:
- 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235
- | ^
-Warning: 't1709' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:298:74:
+ 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
+ | ^
+note: 't371' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, &
- | ^
-note: 't1709' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2600:52:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:65:
- 2600 | t6033 = 0.1000000000e1_dp*t5244*t1712
- | ^
-Warning: 't1712' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:298:87:
+ 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
+ | ^
+note: 't372' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, &
- | ^
-note: 't1712' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2568:34:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:71:
- 2568 | t5964 = t1715*t1525
- | ^
-Warning: 't1715' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:299:14:
+ 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
+ | ^
+note: 't375' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, &
- | ^
-note: 't1715' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:27:
- 1955 | *t58*t3796*t71
- | ^
-Warning: 't1718' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:299:28:
+ 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
+ | ^
+note: 't376' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
- 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, &
- | ^
-note: 't1718' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2612:52:
+ 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
+ | ^
+Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:33:
- 2612 | t6063 = 0.1000000000e1_dp*t1720*t5956
- | ^
-Warning: 't1720' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:299:48:
+ 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
+ | ^
+note: 't379' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
- 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, &
- | ^
-note: 't1720' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2621:37:
+ 1445 | + t403*t1066 + t403*t1069)
+ | ^
+Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:39:
- 2621 | *t6075 - t6078
- | ^
-Warning: 't1722' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:299:55:
+ 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
+ | ^
+note: 't380' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
- 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, &
- | ^
-note: 't1722' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2589:52:
+ 1445 | + t403*t1066 + t403*t1069)
+ | ^
+Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:45:
- 2589 | t6019 = 0.7407407410e-1_dp*t719*t1726
- | ^
-Warning: 't1726' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:299:69:
+ 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
+ | ^
+note: 't383' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
- 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, &
- | ^
-note: 't1726' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2004:32:
+ 1445 | + t403*t1066 + t403*t1069)
+ | ^
+Warning: 't385' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:51:
- 2004 | t4352 = t1731*t67
- | ^
-Warning: 't1731' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:299:90:
+ 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
+ | ^
+note: 't385' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1430:41:
- 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, &
- | ^
-note: 't1731' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67:
+ 1430 | *t1094 - t113*t114*t1098
+ | ^
+Warning: 't389' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:63:
- 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119
- | ^
-Warning: 't1737' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:300:14:
+ 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
+ | ^
+note: 't389' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1430:41:
- 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757
- | ^
-note: 't1737' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2555:57:
+ 1430 | *t1094 - t113*t114*t1098
+ | ^
+Warning: 't392' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:74:
- 2555 | t5929 = 0.2250000000e2_dp*t1740*t471*t4905
- | ^
-Warning: 't1740' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:300:21:
+ 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
+ | ^
+note: 't392' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1436:56:
- 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757
- | ^
-note: 't1740' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2563:52:
+ 1436 | *t114*t820*t1076 - t113*t114*t321*t1101
+ | ^
+Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:80:
- 2563 | t5954 = 0.8999999998e1_dp*t1741*t4909
- | ^
-Warning: 't1741' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:300:28:
+ 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
+ | ^
+note: 't393' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1436:56:
- 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757
- | ^
-note: 't1741' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66:
+ 1436 | *t114*t820*t1076 - t113*t114*t321*t1101
+ | ^
+Warning: 't395' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:86:
- 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235
- | ^
-Warning: 't1745' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:300:42:
+ 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
+ | ^
+note: 't395' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1436:56:
- 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757
- | ^
-note: 't1745' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2598:72:
+ 1436 | *t114*t820*t1076 - t113*t114*t321*t1101
+ | ^
+Warning: 't396' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:92:
- 2598 | *t6021 + t6025 - 0.5555555558e-1_dp*t58*t5613*t71
- | ^
-Warning: 't1748' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:300:49:
+ 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
+ | ^
+note: 't396' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1436:56:
- 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757
- | ^
-note: 't1748' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64:
+ 1436 | *t114*t820*t1076 - t113*t114*t321*t1101
+ | ^
+Warning: 't398' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1005:13:
- 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526
- | ^
-Warning: 't1755' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:300:70:
+ 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, &
+ | ^
+note: 't398' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1436:56:
- 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757
- | ^
-note: 't1755' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2604:52:
+ 1436 | *t114*t820*t1076 - t113*t114*t321*t1101
+ | ^
+Warning: 't399' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1005:19:
- 2604 | t6044 = 0.2000000002e1_dp*t1763*t5956
- | ^
-Warning: 't1763' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:301:55:
+ 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, &
+ | ^
+note: 't399' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
- 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, &
- | ^
-note: 't1763' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2611:40:
+ 1445 | + t403*t1066 + t403*t1069)
+ | ^
+Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1005:34:
- 2611 | t6060 = t1766*t5881*t4940
- | ^
-Warning: 't1766' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:301:69:
+ 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, &
+ | ^
+note: 't401' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
- 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, &
- | ^
-note: 't1766' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70:
+ 1445 | + t403*t1066 + t403*t1069)
+ | ^
+Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1005:40:
- 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267
- | ^
-Warning: 't1769' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:301:83:
+ 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, &
+ | ^
+note: 't402' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
- 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, &
- | ^
-note: 't1769' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2579:52:
+ 1445 | + t403*t1066 + t403*t1069)
+ | ^
+Warning: 't403' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1005:46:
- 2579 | t5985 = 0.5000000001e0_dp*t1774*t4908
- | ^
-Warning: 't1774' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:302:14:
+ 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, &
+ | ^
+note: 't403' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1423:88:
- 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, &
- | ^
-note: 't1774' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2587:52:
+ 1423 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t235*t408 - t76*t1073*Clda)*sx0
+ | ^
+Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1005:52:
- 2587 | t6009 = 0.5000000001e0_dp*t1777*t4908
+ 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, &
| ^
-Warning: 't1777' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:302:28:
-
- 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, &
- | ^
-note: 't1777' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2616:51:
+note: 't408' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:5671:94:
- 2616 | t6078 = 0.1111111112e0_dp*t719*t1782
- | ^
-Warning: 't1782' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:302:48:
+ 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-2024.2/src/xc/xc_xwpbe.F:990:69:
- 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, &
- | ^
-note: 't1782' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2569:34:
+ 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
+ | ^
+note: 'dqndrho' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:5635:90:
- 2569 | t5966 = t1785*t1790
- | ^
-Warning: 't1785' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:302:62:
+ 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-2024.2/src/xc/xc_xwpbe.F:990:76:
- 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, &
- | ^
-note: 't1785' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66:
+ 990 | 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="\"Tue Apr 1 03:41:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbeef.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_xbeef.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_lyp.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp.F xc_lyp.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_tfw.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_tfw.F xc_tfw.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_thomas_fermi.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_thomas_fermi.F xc_thomas_fermi.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tfw.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_lyp.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:565:24:
- 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726
- | ^
-Warning: 't1790' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:302:83:
+ 565 | t240 = t1*ndrho
+ | ^
+Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:369:83:
- 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, &
+ 369 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
| ^
-note: 't1790' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2561:52:
+note: 't1' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:660:22:
- 2561 | t5949 = 0.8999999998e1_dp*t1795*t4909
- | ^
-Warning: 't1795' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:302:97:
+ 660 | t411 = t3*t10
+ | ^
+Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:369:88:
- 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, &
- | ^
-note: 't1795' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2509:58:
+ 369 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
+ | ^
+note: 't10' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:636:97:
- 2509 | t5810 = 0.1080000000e3_dp*t1143*t1801*t1410
- | ^
-Warning: 't1801' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:303:33:
+ 636 | *t117*t130) + (2._dp*t330*t368))*t134
+ | ^
+Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:371:41:
- 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, &
- | ^
-note: 't1801' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39:
+ 371 | t1060, t1073, t1079, t1082, t109, t11, t110, t1100, t111, t1110, t1114, t1117, t112, &
+ | ^
+note: 't109' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:521:24:
- 1966 | *t478*t183*t3918
- | ^
-Warning: 't1811' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:303:61:
+ 521 | t165 = t11*t164
+ | ^
+Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:371:46:
- 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, &
- | ^
-note: 't1811' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29:
+ 371 | t1060, t1073, t1079, t1082, t109, t11, t110, t1100, t111, t1110, t1114, t1117, t112, &
+ | ^
+note: 't11' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:638:29:
- 1976 | *t3382
+ 638 | t376 = t111*t93*t138
| ^
-Warning: 't1821' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:303:88:
-
- 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, &
- | ^
-note: 't1821' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2637:62:
-
- 2637 | t6123 = 0.1666666667e0_dp*t1246*t446*t1825*t561
- | ^
-Warning: 't1825' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:304:21:
-
- 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, &
- | ^
-note: 't1825' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2505:40:
-
- 2505 | t5797 = t1373*t1962*t1829
- | ^
-Warning: 't1829' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:304:35:
+Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:371:65:
- 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, &
- | ^
-note: 't1829' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2538:37:
+ 371 | t1060, t1073, t1079, t1082, t109, t11, t110, t1100, t111, t1110, t1114, t1117, t112, &
+ | ^
+note: 't111' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:636:97:
- 2538 | t5888 = t60*t1836*t709
- | ^
-Warning: 't1836' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:304:62:
+ 636 | *t117*t130) + (2._dp*t330*t368))*t134
+ | ^
+Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:372:13:
- 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, &
- | ^
-note: 't1836' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70:
+ 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, &
+ | ^
+note: 't114' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:697:97:
- 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267
- | ^
-Warning: 't1837' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:304:69:
+ 697 | *t117*t130) + (2._dp*t330*t485))*t134
+ | ^
+Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:372:39:
- 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, &
- | ^
-note: 't1837' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67:
+ 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, &
+ | ^
+note: 't117' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:794:24:
- 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119
- | ^
-Warning: 't1838' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:304:76:
+ 794 | t875 = t97*t118
+ | ^
+Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:372:45:
- 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, &
- | ^
-note: 't1838' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2036:32:
+ 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, &
+ | ^
+note: 't118' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:621:25:
- 2036 | t4498 = t56*t1843
- | ^
-Warning: 't1843' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:304:90:
+ 621 | t344 = t119*t343
+ | ^
+Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:372:51:
- 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, &
- | ^
-note: 't1843' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2633:58:
+ 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, &
+ | ^
+note: 't119' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:519:23:
- 2633 | t6109 = 0.1666666667e0_dp*t1246*t1962*t1865
- | ^
-Warning: 't1865' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:305:49:
+ 519 | t163 = t12*rho
+ | ^
+Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:372:56:
- 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, &
- | ^
-note: 't1865' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60:
+ 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, &
+ | ^
+note: 't12' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:633:43:
- 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410
- | ^
-Warning: 't1875' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:305:83:
+ 633 | + t355*t363/0.2e1_dp)
+ | ^
+Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:372:75:
- 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, &
- | ^
-note: 't1875' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2358:43:
+ 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, &
+ | ^
+note: 't121' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:633:43:
- 2358 | t5421 = t657*t1884*t59*t1975
+ 633 | + t355*t363/0.2e1_dp)
| ^
-Warning: 't1884' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:306:14:
+Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:372:88:
- 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, &
- | ^
-note: 't1884' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36:
+ 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, &
+ | ^
+note: 't122' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:622:27:
- 2710 | t5011 + t5001
- | ^
-Warning: 't1885' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:306:21:
+ 622 | t345 = t123*sscale
+ | ^
+Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:372:94:
- 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, &
- | ^
-note: 't1885' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44:
+ 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, &
+ | ^
+note: 't123' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:618:24:
- 2043 | + (2*t147*t1284*t672)
- | ^
-Warning: 't1886' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:306:28:
+ 618 | t340 = t70*t125
+ | ^
+Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:373:20:
- 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, &
- | ^
-note: 't1886' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2457:58:
+ 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, &
+ | ^
+note: 't125' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:694:58:
- 2457 | t5666 = 0.1125000000e2_dp*t1302*t1892*t1410
+ 694 | t484 = t342*(t472*t345*t126 + t355*t480/0.2e1_dp)
| ^
-Warning: 't1892' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:306:48:
+Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:373:33:
- 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, &
- | ^
-note: 't1892' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34:
-
- 1924 | t1320*t1483
- | ^
-Warning: 't1902' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:306:81:
-
- 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, &
- | ^
-note: 't1902' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34:
-
- 1924 | t1320*t1483
- | ^
-Warning: 't1912' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:307:14:
-
- 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925
- | ^
-note: 't1912' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58:
-
- 2052 | + 0.3333333334e0_dp*t165*t437*t1688
- | ^
-Warning: 't1924' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:307:55:
-
- 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925
- | ^
-note: 't1924' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2643:38:
-
- 2643 | t6141 = t658*t575*t1925
- | ^
-Warning: 't1925' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:307:62:
-
- 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925
- | ^
-note: 't1925' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2020:39:
-
- 2020 | *t429*t1928*t290
- | ^
-Warning: 't1928' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:308:28:
-
- 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, &
- | ^
-note: 't1928' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71:
-
- 2062 | *t3507 - t3512)*t149*t160
- | ^
-Warning: 't1932' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:308:35:
-
- 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, &
- | ^
-note: 't1932' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44:
-
- 2043 | + (2*t147*t1284*t672)
- | ^
-Warning: 't1940' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:308:62:
-
- 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, &
- | ^
-note: 't1940' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2633:58:
-
- 2633 | t6109 = 0.1666666667e0_dp*t1246*t1962*t1865
- | ^
-Warning: 't1962' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:309:34:
-
- 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, &
- | ^
-note: 't1962' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2622:57:
-
- 2622 | t6087 = 0.1666666667e0_dp*t429*t1966*t1410
- | ^
-Warning: 't1966' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:309:48:
-
- 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, &
- | ^
-note: 't1966' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2632:63:
-
- 2632 | t6106 = 0.3600000000e2_dp*t1971*t1972*t1973*t672
- | ^
-Warning: 't1971' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:309:62:
-
- 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, &
- | ^
-note: 't1971' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2632:63:
-
- 2632 | t6106 = 0.3600000000e2_dp*t1971*t1972*t1973*t672
- | ^
-Warning: 't1972' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:309:69:
-
- 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, &
- | ^
-note: 't1972' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54:
-
- 2717 | + 0.4500000000e1_dp*t2009*t4744
- | ^
-Warning: 't1973' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:309:76:
-
- 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, &
- | ^
-note: 't1973' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2757:70:
-
- 2757 | + t5619 + t5622 - t5625 - t5628 + t5631 + t5716
- | ^
-Warning: 't1974' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:309:83:
-
- 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, &
- | ^
-note: 't1974' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2358:43:
-
- 2358 | t5421 = t657*t1884*t59*t1975
- | ^
-Warning: 't1975' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:309:90:
-
- 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, &
- | ^
-note: 't1975' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66:
-
- 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410
- | ^
-Warning: 't1981' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:310:21:
-
- 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, &
- | ^
-note: 't1981' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2479:56:
-
- 2479 | t5722 = 0.1111111111e0_dp*t165*t689*t1988
- | ^
-Warning: 't1988' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:310:42:
-
- 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, &
- | ^
-note: 't1988' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1896:32:
-
- 1896 | t3875 = t45*t2002
- | ^
-Warning: 't2002' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:14:
-
- 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
- | ^
-note: 't2002' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54:
-
- 2717 | + 0.4500000000e1_dp*t2009*t4744
- | ^
-Warning: 't2009' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:28:
-
- 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
- | ^
-note: 't2009' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54:
-
- 2717 | + 0.4500000000e1_dp*t2009*t4744
- | ^
-Warning: 't2013' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:35:
-
- 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
- | ^
-note: 't2013' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54:
-
- 2717 | + 0.4500000000e1_dp*t2009*t4744
- | ^
-Warning: 't2014' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:42:
-
- 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
- | ^
-note: 't2014' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54:
-
- 2717 | + 0.4500000000e1_dp*t2009*t4744
- | ^
-Warning: 't2018' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:49:
-
- 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
- | ^
-note: 't2018' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38:
-
- 2234 | + t5032 + t5035
- | ^
-Warning: 't2022' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:56:
-
- 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
- | ^
-note: 't2022' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29:
-
- 2779 | *t6271
- | ^
-Warning: 't2027' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:63:
-
- 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
- | ^
-note: 't2027' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41:
-
- 2795 | *t5228*t2117*t2028
- | ^
-Warning: 't2028' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:70:
-
- 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
- | ^
-note: 't2028' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2744:46:
-
- 2744 | *t27*t6291*t172 - t5397
- | ^
-Warning: 't2031' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:83:
-
- 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
- | ^
-note: 't2031' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46:
-
- 2811 | *t60*t2124*t709 - t6044
- | ^
-Warning: 't2032' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:90:
-
- 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
- | ^
-note: 't2032' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76:
-
- 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160)
- | ^
-Warning: 't2035' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:97:
-
- 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
- | ^
-note: 't2035' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2765:63:
-
- 2765 | *t575*t161*t1447 + t5773 + t5776 + t5780
- | ^
-Warning: 't2042' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:14:
-
- 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
- | ^
-note: 't2042' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2830:73:
-
- 2830 | t43*t46*t6339 + t8*(t6344 + t6380 + t6389 + t6665)
- | ^
-Warning: 't2046' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:21:
-
- 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
- | ^
-note: 't2046' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2826:132:
-
- 2826 | + t6442 + t6451 + t6461 + t6479 + t6490 + t6499 + t6658)
- | ^
-Warning: 't2050' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:28:
-
- 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
- | ^
-note: 't2050' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40:
-
- 2726 | *t1054*t640*t3679
- | ^
-Warning: 't2054' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:35:
-
- 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
- | ^
-note: 't2054' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2722:79:
-
- 2722 | *t327*t2057*t557 - t5456 + t5459 - t5462 + t5466 - t5468
- | ^
-Warning: 't2057' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:42:
-
- 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
- | ^
-note: 't2057' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2732:78:
-
- 2732 | - t5595 + t5597 - t5600 - t5602 + t5604 + t5607 + t5610
- | ^
-Warning: 't2058' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:49:
-
- 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
- | ^
-note: 't2058' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2806:69:
-
- 2806 | *t2061*t561 + 0.8999999998e1_dp*t178*t62*t6375
- | ^
-Warning: 't2061' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:56:
-
- 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
- | ^
-note: 't2061' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2754:90:
-
- 2754 | t5418 + 0.1800000000e2_dp*t658*t575*t2074 + 0.1800000000e2_dp*t5421
- | ^
-Warning: 't2074' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:76:
-
- 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
- | ^
-note: 't2074' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76:
-
- 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160)
- | ^
-Warning: 't2077' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:83:
-
- 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
- | ^
-note: 't2077' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2769:38:
-
- 2769 | - t6090 + t6094
- | ^
-Warning: 't2081' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:90:
-
- 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
- | ^
-note: 't2081' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76:
-
- 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160)
- | ^
-Warning: 't2082' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:97:
-
- 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
- | ^
-note: 't2082' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76:
-
- 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160)
- | ^
-Warning: 't2088' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:313:21:
-
- 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, &
- | ^
-note: 't2088' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2791:82:
-
- 2791 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257
- | ^
-Warning: 't2095' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:313:28:
-
- 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, &
- | ^
-note: 't2095' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41:
-
- 2795 | *t5228*t2117*t2028
- | ^
-Warning: 't2098' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:313:35:
-
- 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, &
- | ^
-note: 't2098' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29:
-
- 2779 | *t6271
- | ^
-Warning: 't2099' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:313:42:
-
- 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, &
- | ^
-note: 't2099' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36:
-
- 2710 | t5011 + t5001
- | ^
-Warning: 't2821' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34:
-
- 1924 | t1320*t1483
- | ^
-Warning: 't2873' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29:
-
- 2779 | *t6271
- | ^
-Warning: 't2992' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29:
-
- 1832 | *t3339
- | ^
-Warning: 't773' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32:
-
- 1765 | t12*t1058
- | ^
-Warning: 't782' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32:
-
- 1765 | t12*t1058
- | ^
-Warning: 't797' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29:
-
- 1976 | *t3382
- | ^
-Warning: 't859' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
-
- 1866 | *t339*t969
- | ^
-Warning: 't930' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
-
- 1866 | *t339*t969
- | ^
-Warning: 't949' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
-
- 1866 | *t339*t969
- | ^
-Warning: 't950' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29:
-
- 1832 | *t3339
- | ^
-Warning: 't959' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
-
- 1866 | *t339*t969
- | ^
-Warning: 't962' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29:
-
- 1832 | *t3339
- | ^
-Warning: 't963' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
-
- 1866 | *t339*t969
- | ^
-Warning: 't969' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
-
- 1866 | *t339*t969
- | ^
-Warning: 't973' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
-
- 1866 | *t339*t969
- | ^
-Warning: 't976' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29:
-
- 1832 | *t3339
- | ^
-Warning: 't984' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:401:18:
-
- 401 | t99, t991, t995, t997, xx
- | ^
-note: 't991' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:401:24:
-
- 401 | t99, t991, t995, t997, xx
- | ^
-note: 't995' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:401:30:
-
- 401 | t99, t991, t995, t997, xx
- | ^
-note: 't997' 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 May 3 07:30:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_xbecke88.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_lyp.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_lyp.F xc_lyp.F90
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1155:24:
-
- 1155 | t206 = t1*ndrho
- | ^
-Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xwpbe.F:1224:22:
-
- 1224 | t328 = t3*t10
- | ^
-Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xwpbe.F:1198:25:
-
- 1198 | t288 = t100*t139
- | ^
-Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xwpbe.F:1196:25:
-
- 1196 | t280 = t197*t103
- | ^
-Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xwpbe.F:1112:24:
-
- 1112 | t131 = t11*t130
- | ^
-Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xwpbe.F:1182:85:
-
- 1182 | *t248) - t113*t251
- | ^
-Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xwpbe.F:1175:25:
-
- 1175 | t241 = t114*t240
- | ^
-Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xwpbe.F:1213:25:
-
- 1213 | t315 = t314*t115
- | ^
-Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xwpbe.F:1110:23:
-
- 1110 | t129 = t12*rho
- | ^
-Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xwpbe.F:1145:23:
-
- 1145 | t190 = t42*t13
- | ^
-Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xwpbe.F:1142:24:
-
- 1142 | t186 = t14*t185
- | ^
-Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xwpbe.F:1194:24:
-
- 1194 | t276 = t15*t103
- | ^
-Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xwpbe.F:1163:22:
-
- 1163 | t219 = a4*t18
- | ^
-Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xwpbe.F:1117:24:
-
- 1117 | t140 = t19*t139
- | ^
-Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xwpbe.F:1108:23:
-
- 1108 | t125 = t2*t124
- | ^
-Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xwpbe.F:1120:27:
-
- 1120 | t146 = t24*t44*t28
- | ^
-Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xwpbe.F:1136:32:
-
- 1136 | t173 = 0.1e1_dp/t25/t12
- | ^
-Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:77:
-
- 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
- | ^
-note: 't25' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1118:23:
-
- 1118 | t141 = t26*t28
- | ^
-Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:30:
-
- 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
- | ^
-note: 't26' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1120:27:
-
- 1120 | t146 = t24*t44*t28
- | ^
-Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:89:
-
- 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
- | ^
-note: 't28' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1251:47:
-
- 1251 | t379 = 2._dp*t372*t16 + 4._dp*t376*t29
- | ^
-Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:24:
-
- 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
- | ^
-note: 't29' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1228:28:
-
- 1228 | t332 = 0.1e1_dp/t31
- | ^
-Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:93:
-
- 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
- | ^
-note: 't31' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1128:24:
-
- 1128 | t157 = t32*t156
- | ^
-Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:48:
-
- 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
- | ^
-note: 't32' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1130:24:
-
- 1130 | t159 = t33*t139
- | ^
-Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:12:
-
- 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
- | ^
-note: 't33' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1140:73:
-
- 1140 | /0.3e1_dp*t167*t169 - (5._dp*t40*t175) - (8._dp*t53*t181)
- | ^
-Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:53:
-
- 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
- | ^
-note: 't34' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1165:26:
-
- 1165 | t224 = a5*t36*t52
- | ^
-Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:24:
-
- 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
- | ^
-note: 't36' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1133:24:
-
- 1133 | t167 = t37*t166
- | ^
-Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:53:
-
- 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
- | ^
-note: 't37' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1140:73:
-
- 1140 | /0.3e1_dp*t167*t169 - (5._dp*t40*t175) - (8._dp*t53*t181)
- | ^
-Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1005:28:
-
- 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, &
- | ^
-note: 't40' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1145:23:
-
- 1145 | t190 = t42*t13
- | ^
-Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1005:87:
-
- 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, &
- | ^
-note: 't42' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1134:23:
-
- 1134 | t168 = t44*t46
- | ^
-Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1006:36:
-
- 1006 | t428, t430, t434, t438, t44, t441, t445, t454, t457, t458, t46, t465, t467, t47, t5, &
- | ^
-note: 't44' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1137:28:
-
- 1137 | t175 = t42*t173*t46
- | ^
-Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1006:71:
-
- 1006 | t428, t430, t434, t438, t44, t441, t445, t454, t457, t458, t46, t465, t467, t47, t5, &
- | ^
-note: 't46' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1166:64:
-
- 1166 | t227 = 4._dp*t216*t29 + 5._dp*t220*t47 + 6._dp*t224*t63
- | ^
-Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1006:88:
-
- 1006 | t428, t430, t434, t438, t44, t441, t445, t454, t457, t458, t46, t465, t467, t47, t5, &
- | ^
-note: 't47' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1122:53:
-
- 1122 | 0.3e1_dp*t140*t142 - (4._dp*t22*t146)
- | ^
-Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1006:92:
-
- 1006 | t428, t430, t434, t438, t44, t441, t445, t454, t457, t458, t46, t465, t467, t47, t5, &
- | ^
-note: 't5' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1140:73:
-
- 1140 | /0.3e1_dp*t167*t169 - (5._dp*t40*t175) - (8._dp*t53*t181)
- | ^
-Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1007:53:
-
- 1007 | t504, t508, t509, t515, t516, t52, t520, t53, t535, t54, t543, t552, t56, t567, t574, &
- | ^
-note: 't53' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1138:31:
-
- 1138 | t181 = t58/t59/rho*t61
- | ^
-Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1008:17:
-
- 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, &
- | ^
-note: 't59' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1138:31:
-
- 1138 | t181 = t58/t59/rho*t61
- | ^
-Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1008:38:
-
- 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, &
- | ^
-note: 't61' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1166:64:
-
- 1166 | t227 = 4._dp*t216*t29 + 5._dp*t220*t47 + 6._dp*t224*t63
- | ^
-Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1008:49:
-
- 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, &
- | ^
-note: 't63' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1229:24:
-
- 1229 | t333 = t332*t65
- | ^
-Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1008:72:
-
- 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, &
- | ^
-note: 't65' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1169:25:
-
- 1169 | t231 = t66*ndrho
- | ^
-Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1008:89:
-
- 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, &
- | ^
-note: 't66' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1124:24:
-
- 1124 | t151 = t150*t67
- | ^
-Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1008:94:
-
- 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, &
- | ^
-note: 't67' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1152:81:
-
- 1152 | *t68*t199)
- | ^
-Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1009:24:
-
- 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, &
- | ^
-note: 't68' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1150:28:
-
- 1150 | t199 = t69*t197*t71
- | ^
-Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1009:35:
-
- 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, &
- | ^
-note: 't69' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1252:24:
-
- 1252 | t380 = t70*t379
- | ^
-Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1009:44:
-
- 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, &
- | ^
-note: 't70' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
-
- 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
- | ^
-Warning: 't72' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1009:60:
-
- 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, &
- | ^
-note: 't72' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1171:56:
-
- 1171 | dQndrho = t213*t73 - t157*t229 + 2._dp*t232*t73
- | ^
-Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1009:65:
-
- 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, &
- | ^
-note: 't73' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1172:23:
-
- 1172 | t235 = t74*f89
- | ^
-Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1009:70:
-
- 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, &
- | ^
-note: 't74' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1234:70:
-
- 1234 | e_rho = e_rho + (-0.4e1_dp/0.3e1_dp*t235*t122 - t76*t340)*sx0
- | ^
-Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1009:81:
-
- 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, &
- | ^
-note: 't76' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1211:24:
-
- 1211 | t311 = t78*t131
- | ^
-Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1010:24:
-
- 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84
- | ^
-note: 't78' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1182:85:
-
- 1182 | *t248) - t113*t251
- | ^
-Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1010:29:
-
- 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84
- | ^
-note: 't79' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1176:24:
-
- 1176 | t244 = t197*t80
- | ^
-Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1010:38:
-
- 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84
- | ^
-note: 't80' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1241:53:
-
- 1241 | t352 = 2._dp*t343*t81 + t79*t347 - t113*t350
- | ^
-Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1010:49:
-
- 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84
- | ^
-note: 't81' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1230:24:
-
- 1230 | t334 = t333*t83
- | ^
-Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1010:78:
-
- 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84
- | ^
-note: 't83' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1214:24:
-
- 1214 | t317 = t154*t84
- | ^
-Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1010:83:
-
- 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84
- | ^
-note: 't84' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1188:35:
-
- 1188 | t266 = t263*t66 - t86*t250
- | ^
-Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1011:56:
-
- 1011 | REAL(KIND=dp) :: t847, t848, t849, t851, t852, t86, t865, t871, t874, t88, t89, t9, t902, &
- | ^
-note: 't86' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1186:24:
-
- 1186 | t260 = t197*t88
- | ^
-Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1011:79:
-
- 1011 | REAL(KIND=dp) :: t847, t848, t849, t851, t852, t86, t865, t871, t874, t88, t89, t9, t902, &
- | ^
-note: 't88' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1245:47:
-
- 1245 | t364 = f12*(2._dp*t343*t89 + t79*t361)
- | ^
-Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1011:84:
-
- 1011 | REAL(KIND=dp) :: t847, t848, t849, t851, t852, t86, t865, t871, t874, t88, t89, t9, t902, &
- | ^
-note: 't89' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1116:27:
-
- 1116 | t139 = t21/t9/t136
- | ^
-Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1011:88:
-
- 1011 | REAL(KIND=dp) :: t847, t848, t849, t851, t852, t86, t865, t871, t874, t88, t89, t9, t902, &
- | ^
-note: 't9' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1233:59:
-
- 1233 | *t107*t301 + t111*(t304 + t329*t335))*Clda
- | ^
-Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1012:24:
-
- 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989
- | ^
-note: 't92' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1204:22:
-
- 1204 | t299 = t93**2
- | ^
-Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1012:29:
-
- 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989
- | ^
-note: 't93' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1183:24:
-
- 1183 | t254 = t94*t253
- | ^
-Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1012:34:
-
- 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989
- | ^
-note: 't94' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1233:59:
-
- 1233 | *t107*t301 + t111*(t304 + t329*t335))*Clda
- | ^
-Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1012:39:
-
- 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989
- | ^
-note: 't95' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1197:24:
-
- 1197 | t283 = t97*t124
- | ^
-Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1012:44:
-
- 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989
- | ^
-note: 't97' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1200:55:
-
- 1200 | /0.3e1_dp*t288*t142 - (4._dp*t101*t146)
- | ^
-Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1012:49:
-
- 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989
- | ^
-note: 't98' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:31:
-
- 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, &
- | ^
-note: 't124' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1283:55:
-
- 1283 | /0.3e1_dp*t140*t434 + (20._dp*t22*t438)
- | ^
-Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:37:
-
- 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, &
- | ^
-note: 't125' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:43:
-
- 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, &
- | ^
-note: 't126' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1294:49:
-
- 1294 | t12*t61)
- | ^
-Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:49:
-
- 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, &
- | ^
-note: 't129' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1297:24:
-
- 1297 | t515 = t42*t130
- | ^
-Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:60:
-
- 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, &
- | ^
-note: 't130' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1398:132:
-
- 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395
- | ^
-Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:66:
-
- 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, &
- | ^
-note: 't131' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:72:
-
- 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, &
- | ^
-note: 't132' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't139' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:993:90:
-
- 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, &
- | ^
-note: 't139' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1283:55:
-
- 1283 | /0.3e1_dp*t140*t434 + (20._dp*t22*t438)
- | ^
-Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:13:
-
- 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
- | ^
-note: 't140' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1278:25:
-
- 1278 | t430 = t141*t135
- | ^
-Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:19:
-
- 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
- | ^
-note: 't141' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:25:
-
- 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
- | ^
-note: 't142' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:31:
-
- 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
- | ^
-note: 't146' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
-
- 1380 | *t331*t333*t253)
- | ^
-Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:37:
-
- 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
- | ^
-note: 't149' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
-
- 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
- | ^
-Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:48:
-
- 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
- | ^
-note: 't150' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1305:53:
-
- 1305 | t193 + 0.6e1_dp*t68*t69*t520*t71
- | ^
-Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:54:
-
- 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
- | ^
-note: 't151' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1285:33:
-
- 1285 | t454 = 0.1e1_dp/t153/t65
- | ^
-Warning: 't153' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:60:
-
- 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
- | ^
-note: 't153' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1331:24:
-
- 1331 | t656 = t31*t154
- | ^
-Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:66:
-
- 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
- | ^
-note: 't154' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1308:25:
-
- 1308 | t543 = t212*t156
- | ^
-Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:72:
-
- 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
- | ^
-note: 't156' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
-
- 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
- | ^
-Warning: 't157' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:78:
-
- 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
- | ^
-note: 't157' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1326:63:
-
- 1326 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158
- | ^
-Warning: 't158' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:84:
-
- 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
- | ^
-note: 't158' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1294:49:
-
- 1294 | t12*t61)
- | ^
-Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:994:90:
-
- 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, &
- | ^
-note: 't159' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1295:24:
-
- 1295 | t508 = t165*t13
- | ^
-Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:13:
-
- 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
- | ^
-note: 't165' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1312:34:
-
- 1312 | (48._dp*t224*t181)
- | ^
-Warning: 't166' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:19:
-
- 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
- | ^
-note: 't166' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1294:49:
-
- 1294 | t12*t61)
- | ^
-Warning: 't167' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:25:
-
- 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
- | ^
-note: 't167' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1294:49:
-
- 1294 | t12*t61)
- | ^
-Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:31:
-
- 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
- | ^
-note: 't168' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1312:34:
-
- 1312 | (48._dp*t224*t181)
- | ^
-Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:37:
-
- 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
- | ^
-note: 't169' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1294:49:
-
- 1294 | t12*t61)
- | ^
-Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:43:
-
- 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
- | ^
-note: 't173' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1312:34:
-
- 1312 | (48._dp*t224*t181)
- | ^
-Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:49:
-
- 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
- | ^
-note: 't175' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1312:34:
-
- 1312 | (48._dp*t224*t181)
- | ^
-Warning: 't181' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:60:
-
- 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
- | ^
-note: 't181' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1403:32:
-
- 1403 | *t114*t321*t909
- | ^
-Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:66:
-
- 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
- | ^
-note: 't184' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1305:53:
-
- 1305 | t193 + 0.6e1_dp*t68*t69*t520*t71
- | ^
-Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:72:
-
- 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
- | ^
-note: 't185' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
-
- 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
- | ^
-Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:78:
-
- 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
- | ^
-note: 't186' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
-
- 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
- | ^
-Warning: 't188' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:84:
-
- 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
- | ^
-note: 't188' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1305:53:
-
- 1305 | t193 + 0.6e1_dp*t68*t69*t520*t71
- | ^
-Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:995:90:
-
- 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, &
- | ^
-note: 't189' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1384:25:
-
- 1384 | t874 = t342*t190
- | ^
-Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:13:
-
- 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
- | ^
-note: 't190' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1398:132:
-
- 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395
- | ^
-Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:19:
-
- 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
- | ^
-note: 't191' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
-
- 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
- | ^
-Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:31:
-
- 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
- | ^
-note: 't194' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
-
- 1392 | *t902 - t113*t114*t906
- | ^
-Warning: 't197' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:37:
-
- 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
- | ^
-note: 't197' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
-
- 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
- | ^
-Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:43:
-
- 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
- | ^
-note: 't199' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1307:72:
-
- 1307 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146)
- | ^
-Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:58:
-
- 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
- | ^
-note: 't202' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1307:72:
-
- 1307 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146)
- | ^
-Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:64:
-
- 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
- | ^
-note: 't203' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1404:30:
-
- 1404 | t1056 = 0.1e1_dp/t206
- | ^
-Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:70:
-
- 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
- | ^
-note: 't206' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1307:72:
-
- 1307 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146)
- | ^
-Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:996:76:
-
- 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207
- | ^
-note: 't207' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1307:72:
-
- 1307 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146)
- | ^
-Warning: 't208' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:27:
-
- 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
- | ^
-note: 't208' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1405:31:
-
- 1405 | t1062 = t851*t852*t211
- | ^
-Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:38:
-
- 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
- | ^
-note: 't211' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1326:63:
-
- 1326 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158
- | ^
-Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:44:
-
- 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
- | ^
-note: 't212' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
-
- 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
- | ^
-Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:50:
-
- 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
- | ^
-note: 't213' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1312:34:
-
- 1312 | (48._dp*t224*t181)
- | ^
-Warning: 't215' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:56:
-
- 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
- | ^
-note: 't215' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1312:34:
-
- 1312 | (48._dp*t224*t181)
- | ^
-Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:62:
-
- 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
- | ^
-note: 't216' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1312:34:
-
- 1312 | (48._dp*t224*t181)
- | ^
-Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:68:
-
- 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
- | ^
-note: 't219' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1312:34:
-
- 1312 | (48._dp*t224*t181)
- | ^
-Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:79:
-
- 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-2024.2/src/xc/xc_xwpbe.F:1312:34:
-
- 1312 | (48._dp*t224*t181)
- | ^
-Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:85:
-
- 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
- | ^
-note: 't224' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1436:56:
-
- 1436 | *t114*t820*t1076 - t113*t114*t321*t1101
- | ^
-Warning: 't227' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:91:
-
- 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
- | ^
-note: 't227' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
-
- 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
- | ^
-Warning: 't228' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:997:97:
-
- 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, &
- | ^
-note: 't228' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1326:63:
-
- 1326 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158
- | ^
-Warning: 't229' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:13:
-
- 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
- | ^
-note: 't229' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1326:63:
-
- 1326 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158
- | ^
-Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:19:
-
- 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
- | ^
-note: 't231' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1319:122:
-
- 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199)
- | ^
-Warning: 't232' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:25:
-
- 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
- | ^
-note: 't232' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1423:88:
-
- 1423 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t235*t408 - t76*t1073*Clda)*sx0
- | ^
-Warning: 't235' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:31:
-
- 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
- | ^
-note: 't235' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
-
- 1392 | *t902 - t113*t114*t906
- | ^
-Warning: 't238' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:37:
-
- 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
- | ^
-note: 't238' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
-
- 1392 | *t902 - t113*t114*t906
- | ^
-Warning: 't240' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:48:
-
- 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
- | ^
-note: 't240' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
-
- 1392 | *t902 - t113*t114*t906
- | ^
-Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:54:
-
- 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
- | ^
-note: 't241' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
-
- 1392 | *t902 - t113*t114*t906
- | ^
-Warning: 't244' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:60:
-
- 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
- | ^
-note: 't244' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1357:94:
-
- 1357 | *t114*t820*t640) - (t113*t114*t321*t681)
- | ^
-Warning: 't247' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:66:
-
- 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
- | ^
-note: 't247' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
-
- 1392 | *t902 - t113*t114*t906
- | ^
-Warning: 't248' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:72:
-
- 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
- | ^
-note: 't248' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
-
- 1392 | *t902 - t113*t114*t906
- | ^
-Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:83:
-
- 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
- | ^
-note: 't250' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
-
- 1392 | *t902 - t113*t114*t906
- | ^
-Warning: 't251' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:89:
-
- 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
- | ^
-note: 't251' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't253' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:998:95:
-
- 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, &
- | ^
-note: 't253' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1403:32:
-
- 1403 | *t114*t321*t909
- | ^
-Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:13:
-
- 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
- | ^
-note: 't254' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
-
- 1380 | *t331*t333*t253)
- | ^
-Warning: 't256' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:19:
-
- 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
- | ^
-note: 't256' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't257' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:25:
-
- 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
- | ^
-note: 't257' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't260' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:36:
-
- 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
- | ^
-note: 't260' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't263' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:42:
-
- 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
- | ^
-note: 't263' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
-
- 1380 | *t331*t333*t253)
- | ^
-Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:48:
-
- 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
- | ^
-note: 't266' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't267' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:54:
-
- 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
- | ^
-note: 't267' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't270' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:60:
-
- 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
- | ^
-note: 't270' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
-
- 1380 | *t331*t333*t253)
- | ^
-Warning: 't272' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:66:
-
- 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
- | ^
-note: 't272' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't273' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:72:
-
- 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
- | ^
-note: 't273' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
-
- 1380 | *t331*t333*t253)
- | ^
-Warning: 't276' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:78:
-
- 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
- | ^
-note: 't276' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't277' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:84:
-
- 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
- | ^
-note: 't277' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't280' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:999:95:
-
- 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, &
- | ^
-note: 't280' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
-
- 1380 | *t331*t333*t253)
- | ^
-Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:13:
-
- 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
- | ^
-note: 't283' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
-
- 1380 | *t331*t333*t253)
- | ^
-Warning: 't288' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:19:
-
- 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
- | ^
-note: 't288' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
-
- 1380 | *t331*t333*t253)
- | ^
-Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:30:
-
- 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
- | ^
-note: 't293' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:36:
-
- 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
- | ^
-note: 't294' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:42:
-
- 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
- | ^
-note: 't297' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1341:33:
-
- 1341 | t759 = 0.1e1_dp/t299/t83
- | ^
-Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:48:
-
- 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
- | ^
-note: 't299' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
-
- 1380 | *t331*t333*t253)
- | ^
-Warning: 't300' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:58:
-
- 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
- | ^
-note: 't300' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't301' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:64:
-
- 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
- | ^
-note: 't301' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
-
- 1392 | *t902 - t113*t114*t906
- | ^
-Warning: 't305' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:76:
-
- 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
- | ^
-note: 't305' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1398:132:
-
- 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395
- | ^
-Warning: 't307' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:82:
-
- 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
- | ^
-note: 't307' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1398:132:
-
- 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395
- | ^
-Warning: 't308' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1000:88:
-
- 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, &
- | ^
-note: 't308' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
-
- 1392 | *t902 - t113*t114*t906
- | ^
-Warning: 't311' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:13:
-
- 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
- | ^
-note: 't311' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1339:30:
-
- 1339 | t113*t114*t678
- | ^
-Warning: 't314' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:19:
-
- 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
- | ^
-note: 't314' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1398:132:
-
- 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395
- | ^
-Warning: 't315' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:25:
-
- 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
- | ^
-note: 't315' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1357:94:
-
- 1357 | *t114*t820*t640) - (t113*t114*t321*t681)
- | ^
-Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:31:
-
- 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
- | ^
-note: 't317' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1403:32:
-
- 1403 | *t114*t321*t909
- | ^
-Warning: 't318' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:37:
-
- 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
- | ^
-note: 't318' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1403:32:
-
- 1403 | *t114*t321*t909
- | ^
-Warning: 't319' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:43:
-
- 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
- | ^
-note: 't319' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1357:94:
-
- 1357 | *t114*t820*t640) - (t113*t114*t321*t681)
- | ^
-Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:54:
-
- 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
- | ^
-note: 't321' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1403:32:
-
- 1403 | *t114*t321*t909
- | ^
-Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:60:
-
- 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
- | ^
-note: 't322' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1403:32:
-
- 1403 | *t114*t321*t909
- | ^
-Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:66:
-
- 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
- | ^
-note: 't323' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:72:
-
- 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
- | ^
-note: 't325' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:78:
-
- 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
- | ^
-note: 't326' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1359:25:
-
- 1359 | t848 = t327*t847
- | ^
-Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:84:
-
- 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
- | ^
-note: 't327' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
-
- 1445 | + t403*t1066 + t403*t1069)
- | ^
-Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:90:
-
- 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
- | ^
-note: 't328' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1001:96:
-
- 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, &
- | ^
-note: 't329' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
-
- 1380 | *t331*t333*t253)
- | ^
-Warning: 't330' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:18:
-
- 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
- | ^
-note: 't330' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1406:35:
-
- 1406 | t1066 = t331*t332*t227*t83
- | ^
-Warning: 't331' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:24:
-
- 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
- | ^
-note: 't331' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1406:35:
-
- 1406 | t1066 = t331*t332*t227*t83
- | ^
-Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:30:
-
- 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
- | ^
-note: 't332' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1407:31:
-
- 1407 | t1069 = t331*t333*t352
- | ^
-Warning: 't333' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:36:
-
- 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
- | ^
-note: 't333' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1380:132:
-
- 1380 | *t331*t333*t253)
- | ^
-Warning: 't334' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:42:
-
- 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
- | ^
-note: 't334' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
-
- 1445 | + t403*t1066 + t403*t1069)
- | ^
-Warning: 't335' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:48:
-
- 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
- | ^
-note: 't335' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1382:54:
-
- 1382 | - t76*t865*Clda)*sx0
- | ^
-Warning: 't340' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:59:
-
- 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
- | ^
-note: 't340' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1398:132:
-
- 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395
- | ^
-Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:65:
-
- 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
- | ^
-note: 't342' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1392:38:
-
- 1392 | *t902 - t113*t114*t906
- | ^
-Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:71:
-
- 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
- | ^
-note: 't343' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1398:132:
-
- 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395
- | ^
-Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:77:
-
- 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
- | ^
-note: 't346' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1430:41:
-
- 1430 | *t1094 - t113*t114*t1098
- | ^
-Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:83:
-
- 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
- | ^
-note: 't347' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
-
- 1445 | + t403*t1066 + t403*t1069)
- | ^
-Warning: 't349' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:89:
-
- 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
- | ^
-note: 't349' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1430:41:
-
- 1430 | *t1094 - t113*t114*t1098
- | ^
-Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1002:95:
-
- 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, &
- | ^
-note: 't350' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1436:56:
-
- 1436 | *t114*t820*t1076 - t113*t114*t321*t1101
- | ^
-Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:13:
-
- 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
- | ^
-note: 't352' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
-
- 1445 | + t403*t1066 + t403*t1069)
- | ^
-Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:19:
-
- 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
- | ^
-note: 't357' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't360' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:30:
-
- 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
- | ^
-note: 't360' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
-
- 1445 | + t403*t1066 + t403*t1069)
- | ^
-Warning: 't361' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:36:
-
- 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
- | ^
-note: 't361' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
-
- 1445 | + t403*t1066 + t403*t1069)
- | ^
-Warning: 't364' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:42:
-
- 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
- | ^
-note: 't364' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
-
- 1445 | + t403*t1066 + t403*t1069)
- | ^
-Warning: 't366' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:48:
-
- 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
- | ^
-note: 't366' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't371' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:59:
-
- 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
- | ^
-note: 't371' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:65:
-
- 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
- | ^
-note: 't372' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1003:71:
-
- 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375
- | ^
-note: 't375' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:27:
-
- 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
- | ^
-note: 't376' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1422:132:
-
- 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069))
- | ^
-Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:33:
-
- 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
- | ^
-note: 't379' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
-
- 1445 | + t403*t1066 + t403*t1069)
- | ^
-Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:39:
-
- 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
- | ^
-note: 't380' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
-
- 1445 | + t403*t1066 + t403*t1069)
- | ^
-Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:45:
-
- 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
- | ^
-note: 't383' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
-
- 1445 | + t403*t1066 + t403*t1069)
- | ^
-Warning: 't385' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:51:
-
- 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
- | ^
-note: 't385' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1430:41:
-
- 1430 | *t1094 - t113*t114*t1098
- | ^
-Warning: 't389' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:63:
-
- 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
- | ^
-note: 't389' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1430:41:
-
- 1430 | *t1094 - t113*t114*t1098
- | ^
-Warning: 't392' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:74:
-
- 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
- | ^
-note: 't392' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1436:56:
-
- 1436 | *t114*t820*t1076 - t113*t114*t321*t1101
- | ^
-Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:80:
-
- 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
- | ^
-note: 't393' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1436:56:
-
- 1436 | *t114*t820*t1076 - t113*t114*t321*t1101
- | ^
-Warning: 't395' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:86:
-
- 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
- | ^
-note: 't395' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1436:56:
-
- 1436 | *t114*t820*t1076 - t113*t114*t321*t1101
- | ^
-Warning: 't396' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1004:92:
-
- 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, &
- | ^
-note: 't396' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1436:56:
-
- 1436 | *t114*t820*t1076 - t113*t114*t321*t1101
- | ^
-Warning: 't398' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1005:13:
-
- 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, &
- | ^
-note: 't398' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1436:56:
-
- 1436 | *t114*t820*t1076 - t113*t114*t321*t1101
- | ^
-Warning: 't399' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1005:19:
-
- 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, &
- | ^
-note: 't399' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
-
- 1445 | + t403*t1066 + t403*t1069)
- | ^
-Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1005:34:
-
- 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, &
- | ^
-note: 't401' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
-
- 1445 | + t403*t1066 + t403*t1069)
- | ^
-Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1005:40:
-
- 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, &
- | ^
-note: 't402' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1445:81:
-
- 1445 | + t403*t1066 + t403*t1069)
- | ^
-Warning: 't403' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1005:46:
-
- 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, &
- | ^
-note: 't403' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1423:88:
-
- 1423 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t235*t408 - t76*t1073*Clda)*sx0
- | ^
-Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1005:52:
-
- 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, &
- | ^
-note: 't408' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xwpbe.F:990:69:
-
- 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
- | ^
-note: 'dqndrho' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xwpbe.F:990:76:
-
- 990 | 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="\"Sun May 3 07:30:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_lyp.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xbeef.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbeef.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_xbeef.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_perdew_wang.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F xc_perdew_wang.F90
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:565:24:
-
- 565 | t240 = t1*ndrho
- | ^
-Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:369:83:
-
- 369 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
- | ^
-note: 't1' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:660:22:
-
- 660 | t411 = t3*t10
- | ^
-Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:369:88:
-
- 369 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
- | ^
-note: 't10' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:636:97:
-
- 636 | *t117*t130) + (2._dp*t330*t368))*t134
- | ^
-Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:371:41:
-
- 371 | t1060, t1073, t1079, t1082, t109, t11, t110, t1100, t111, t1110, t1114, t1117, t112, &
- | ^
-note: 't109' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:521:24:
-
- 521 | t165 = t11*t164
- | ^
-Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:371:46:
-
- 371 | t1060, t1073, t1079, t1082, t109, t11, t110, t1100, t111, t1110, t1114, t1117, t112, &
- | ^
-note: 't11' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:638:29:
-
- 638 | t376 = t111*t93*t138
- | ^
-Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:371:65:
-
- 371 | t1060, t1073, t1079, t1082, t109, t11, t110, t1100, t111, t1110, t1114, t1117, t112, &
- | ^
-note: 't111' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:636:97:
-
- 636 | *t117*t130) + (2._dp*t330*t368))*t134
- | ^
-Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:372:13:
-
- 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, &
- | ^
-note: 't114' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:697:97:
-
- 697 | *t117*t130) + (2._dp*t330*t485))*t134
- | ^
-Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:372:39:
-
- 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, &
- | ^
-note: 't117' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:794:24:
-
- 794 | t875 = t97*t118
- | ^
-Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:372:45:
-
- 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, &
- | ^
-note: 't118' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:621:25:
-
- 621 | t344 = t119*t343
- | ^
-Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:372:51:
-
- 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, &
- | ^
-note: 't119' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:519:23:
-
- 519 | t163 = t12*rho
- | ^
-Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:372:56:
-
- 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, &
- | ^
-note: 't12' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:633:43:
-
- 633 | + t355*t363/0.2e1_dp)
- | ^
-Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:372:75:
-
- 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, &
- | ^
-note: 't121' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:633:43:
-
- 633 | + t355*t363/0.2e1_dp)
- | ^
-Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:372:88:
-
- 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, &
- | ^
-note: 't122' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:622:27:
-
- 622 | t345 = t123*sscale
- | ^
-Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:372:94:
-
- 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, &
- | ^
-note: 't123' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:618:24:
-
- 618 | t340 = t70*t125
- | ^
-Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:373:20:
-
- 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, &
- | ^
-note: 't125' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:694:58:
-
- 694 | t484 = t342*(t472*t345*t126 + t355*t480/0.2e1_dp)
- | ^
-Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:373:33:
-
- 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, &
- | ^
-note: 't126' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:633:43:
+ 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, &
+ | ^
+note: 't126' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:633:43:
633 | + t355*t363/0.2e1_dp)
| ^
@@ -33204,7 +24808,6 @@
873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114)
| ^
Warning: 't294' 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 May 3 07:30:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_wang.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_perdew_wang.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:382:42:
382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303
@@ -34232,248 +25835,2257 @@
note: 'dqrho' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_exchange_gga.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_exchange_gga.F xc_exchange_gga.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ps_implicit_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ewald_environment_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_parameters.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_mm.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_kpp1_env_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_ddapc_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'post_scf_bandstructure_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_nonbond_force.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_nonbond_force.F fist_nonbond_force.F90
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbeef.F:290:79:
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1184:69:
- 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-2024.2/src/xc/xc_xbeef.F:228:68:
+ 1184 | t117*t118*t172 + 0.3333333334e0_dp*t36*t38*t196
+ | ^
+Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1035:72:
- 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, &
- | ^
-note: 'ds_ndrho' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbeef.F:289:99:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1172:67:
- 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-2024.2/src/xc/xc_xbeef.F:228:76:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1035:77:
- 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, &
- | ^
-note: 'ds_rho' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbeef.F:289:99:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1174:59:
- 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-2024.2/src/xc/xc_xbeef.F:228:80:
+ 1174 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169
+ | ^
+Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1036:70:
- 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, &
- | ^
-note: 'dt' was declared here
-/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_exchange_gga.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_exchange_gga.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_tfw.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xbecke88_long_range.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xbecke_roussel.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_libxc.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_pbe.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_thomas_fermi.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_ke_gga.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_perdew_zunger.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_cs1.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbeef.F:489:89:
+ 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, &
+ | ^
+note: 't11' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1172:67:
- 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-2024.2/src/xc/xc_xbeef.F:425:68:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1037:79:
- 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, &
- | ^
-note: 'ds_ndrho' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbeef.F:488:109:
+ 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, &
+ | ^
+note: 't12' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1121:27:
- 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-2024.2/src/xc/xc_xbeef.F:425:76:
+ 1121 | t75 = t16**2
+ | ^
+Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1040:44:
- 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, &
- | ^
-note: 'ds_rho' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbeef.F:488:109:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1120:28:
- 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-2024.2/src/xc/xc_xbeef.F:425:80:
+ 1120 | t72 = t71*t17
+ | ^
+Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1040:61:
- 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, &
- | ^
-note: 'dt' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xlda_hole_t_c_lr.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_lyp_adiabatic.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_vwn.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_tpss.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xpbe_hole_t_c_lr.mod' due to: target does not exist
-true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_nonbond_force.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_b97.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_hcth.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_perdew86.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew86.F xc_perdew86.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xbr_pbe_lda_hole_t_c_lr.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F xc_xbr_pbe_lda_hole_t_c_lr.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xalpha.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_pade.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_optx.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_tb.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_tb.F 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 May 3 07:30:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew86.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_perdew86.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbr_pbe_lda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_xbr_pbe_lda_hole_t_c_lr.F90
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:661:53:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1174:59:
- 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-2024.2/src/xc/xc_perdew_wang.F:540:78:
+ 1174 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169
+ | ^
+Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1040:90:
- 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, &
- | ^
-note: 'trrr' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:661:53:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1344:29:
- 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-2024.2/src/xc/xc_perdew_wang.F:540:84:
+ 1344 | t576 = t2*t501
+ | ^
+Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1041:29:
- 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, &
- | ^
-note: 'trrz' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:669:65:
+ 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216
+ | ^
+note: 't2' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1148:28:
- 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-2024.2/src/xc/xc_perdew_wang.F:540:95:
+ 1148 | t126 = t21**2
+ | ^
+Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1041:46:
- 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, &
- | ^
-note: 'trzz' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:683:53:
+ 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216
+ | ^
+note: 't21' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1117:34:
- 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-2024.2/src/xc/xc_perdew_wang.F:541:69:
+ 1117 | t68 = rho*t22*omega
+ | ^
+Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1042:32:
- 541 | tzz, tzzz
- | ^
-note: 'tzzz' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:642:37:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1116:30:
- 642 | ed(m) = tr*r(1) + tz*z(1, 0)
- | ^
-Warning: 'tr' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:540:67:
+ 1116 | t64 = t23*omega
+ | ^
+Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1042:61:
- 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, &
- | ^
-note: 'tr' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:540:99:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1170:84:
- 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, &
- | ^
-Warning: 'tz' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:648:56:
+ 1170 | 0.2222222224e0_dp*t24*t98*t155)*sx
+ | ^
+Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1042:96:
- 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-2024.2/src/xc/xc_perdew_wang.F:540:72:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1139:30:
- 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, &
- | ^
-note: 'trr' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:648:56:
+ 1139 | t105 = t28*t104
+ | ^
+Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1044:12:
- 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-2024.2/src/xc/xc_perdew_wang.F:540:89:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1144:31:
- 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, &
- | ^
-note: 'trz' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew_wang.F:541:63:
+ 1144 | t116 = omega*t29
+ | ^
+Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1044:41:
- 541 | tzz, tzzz
- | ^
-Warning: 'tzz' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4750:24:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1172:67:
- 4750 | t256 = t1*ndrho
- | ^
-Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4538:83:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1044:57:
- 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
- | ^
-note: 't1' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4711:24:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1142:26:
- 4711 | t188 = t10*t178
- | ^
-Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4538:88:
+ 1142 | t109
+ | ^
+Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1044:62:
- 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
- | ^
-note: 't10' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4785:55:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1142:26:
- 4785 | /0.3e1_dp*t321*t199 - (4._dp*t100*t203)
- | ^
-Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4538:94:
+ 1142 | t109
+ | ^
+Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_long_range.F:1044:73:
- 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
- | ^
-note: 't100' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4781:25:
+ 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-2024.2/src/xc/xc_xbecke88_long_range.F:1167:26:
- 4781 | t313 = t179*t102
- | ^
-Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4539:34:
+ 1167 | t151
+ | ^
+Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1167:26:
+
+ 1167 | t151
+ | ^
+Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1167:26:
+
+ 1167 | t151
+ | ^
+Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1551:32:
+
+ 1551 | t98*t1400
+ | ^
+Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1551:32:
+
+ 1551 | t98*t1400
+ | ^
+Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1380:63:
+
+ 1380 | /t69*t669)
+ | ^
+Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1483:76:
+
+ 1483 | + t1136)
+ | ^
+Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1584:49:
+
+ 1584 | *sx
+ | ^
+Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1551:32:
+
+ 1551 | t98*t1400
+ | ^
+Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1551:32:
+
+ 1551 | t98*t1400
+ | ^
+Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1483:76:
+
+ 1483 | + t1136)
+ | ^
+Warning: 't492' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1584:49:
+
+ 1584 | *sx
+ | ^
+Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1551:32:
+
+ 1551 | t98*t1400
+ | ^
+Warning: 't502' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1551:32:
+
+ 1551 | t98*t1400
+ | ^
+Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1584:49:
+
+ 1584 | *sx
+ | ^
+Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_long_range.F:1551:32:
+
+ 1551 | t98*t1400
+ | ^
+Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_thomas_fermi.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_thomas_fermi.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_pbe.F:540:29:
+
+ 540 | t78 = beta*t77
+ | ^
+Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:513: update target 'xc_xbecke88.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_exchange_gga.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_exchange_gga.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4750:24:
+
+ 4750 | t256 = t1*ndrho
+ | ^
+Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4538:83:
+
+ 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
+ | ^
+note: 't1' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4711:24:
+
+ 4711 | t188 = t10*t178
+ | ^
+Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4538:88:
+
+ 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
+ | ^
+note: 't10' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4785:55:
+
+ 4785 | /0.3e1_dp*t321*t199 - (4._dp*t100*t203)
+ | ^
+Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4538:94:
+
+ 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
+ | ^
+note: 't100' 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="\"Tue Apr 1 03:41:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_xbecke88.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4781:25:
+
+ 4781 | t313 = t179*t102
+ | ^
+Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4539:34:
4539 | t1001, t1011, t1017, t102, t1026, t103, t1033, t1035, t1040, t1047, t1048, t1049, t105, &
| ^
@@ -35623,7 +29235,6 @@
4937 | /t12*t63))
| ^
Warning: 't213' 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 May 3 07:30:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_tb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_tb.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:4550:42:
4550 | t209, t21, t210, t211, t212, t213, t219, t22, t220, t221, t222, t223, t227, t229, t23, &
@@ -36999,16 +30610,41 @@
4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
| ^
note: 'dqrho' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_se.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_se.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_se.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gw_communication.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_communication.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' gw_communication.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_tmc.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/input_cp2k_tmc.F input_cp2k_tmc.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_poisson_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw/pw_poisson_methods.F pw_poisson_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_hcth.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_hcth.F 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="\"Tue Apr 1 03:41:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_hcth.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_hcth.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_pbe.F:1684:31:
+
+ 1684 | t101 = beta*t100
+ | ^
+Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_pbe.F:1516:25:
+
+ 1516 | kf_brhobrhob, mu
+ | ^
+note: 'mu' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xbecke88_lr_adiabatic.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F xc_xbecke88_lr_adiabatic.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3905:24:
3905 | t295 = t1*ndrho
@@ -38074,7 +31710,6 @@
4154 | t813 = t287*t208
| ^
Warning: 't208' 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 May 3 07:30:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/input_cp2k_tmc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' input_cp2k_tmc.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3673:40:
3673 | t206, t2060, t2064, t2068, t208, t209, t21, t210, t2107, t212, t213, t2140, t215, t2159, &
@@ -38815,7 +32450,6 @@
4363 | t419*t77*t871)/0.2e1_dp)
| ^
Warning: 't365' 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 May 3 07:30:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' pw_poisson_methods.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3680:36:
3680 | t359, t36, t361, t364, t365, t368, t369, t370, t373, t374, t375, t376, t377, t379, t38, &
@@ -40171,116 +33805,70 @@
3656 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1004, &
| ^
note: 'dqrho' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:513: update target 'semi_empirical_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/semi_empirical_utils.F 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="\"Sun May 3 07:30:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_subsys.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_subsys.F input_cp2k_subsys.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_p_env_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_p_env_types.F qs_p_env_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_p_env_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_subsys.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_subsys.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_int_num.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/semi_empirical_int_num.F semi_empirical_int_num.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_perdew86.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_int_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xbr_pbe_lda_hole_t_c_lr.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ps_implicit_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xbecke88.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_parameters.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_lyp.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ewald_environment_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xbeef.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_mm.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_kpp1_env_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_ddapc_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xbecke_roussel.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_pade.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_lyp_adiabatic.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_lr_adiabatic.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_xbecke88_lr_adiabatic.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_libxc.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_cs1.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_vwn.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_perdew_zunger.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_optx.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_b97.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xalpha.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xlda_hole_t_c_lr.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xpbe_hole_t_c_lr.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_perdew_wang.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_tb.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_ke_gga.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_se.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_perdew86.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_perdew86.F xc_perdew86.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xbeef.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_fxc_kernel.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_fxc_kernel.F xc_fxc_kernel.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_num.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_int_num.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_lyp.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_thomas_fermi.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_hcth.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_int_num.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew86.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_perdew86.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_tb.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_tb.F 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="\"Tue Apr 1 03:41:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_num.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_int_num.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_tb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_tb.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_se.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_se.F input_cp2k_se.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2950:24:
2950 | t382 = t1*ndrho
@@ -41821,6 +35409,8 @@
2680 | t320, t321, t324, t325, t326, t327, t331, t334, t335, t336, t337, t338, t339, t34, t340, &
| ^
note: 't327' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_nonbond_force.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_nonbond_force.F fist_nonbond_force.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3466:67:
3466 | - (16._dp*t752*t331))
@@ -43026,7 +36616,6 @@
3620 | *t238*t1139 + t289*t2336)*alpha8*t296)
| ^
Warning: 't626' 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 May 3 07:30:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_fxc_kernel.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_fxc_kernel.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2691:13:
2691 | t626, t628, t629, t63, t633, t634, t635, t638, t641, t644, t65, t650, t652, t656, t658, &
@@ -43544,260 +37133,6596 @@
note: 't781' was declared here
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3505:27:
- 3505 | t2136 = t1332*t783
- | ^
-Warning: 't783' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2695:59:
+ 3505 | t2136 = t1332*t783
+ | ^
+Warning: 't783' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2695:59:
+
+ 2695 | t760, t761, t767, t769, t77, t770, t78, t781, t783, t784, t788, t793
+ | ^
+note: 't783' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3602:43:
+
+ 3602 | /0.4e1_dp*t603*t1469*t2473
+ | ^
+Warning: 't784' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2695:65:
+
+ 2695 | t760, t761, t767, t769, t77, t770, t78, t781, t783, t784, t788, t793
+ | ^
+note: 't784' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3540:45:
+
+ 3540 | - (5._dp*t1726*t506*t6*t407)
+ | ^
+Warning: 't788' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2695:71:
+
+ 2695 | t760, t761, t767, t769, t77, t770, t78, t781, t783, t784, t788, t793
+ | ^
+note: 't788' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3590:92:
+
+ 3590 | t2511) + 0.3e1_dp/0.2e1_dp*(t474)*(t481)*(t2515)
+ | ^
+Warning: 't793' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2695:77:
+
+ 2695 | t760, t761, t767, t769, t77, t770, t78, t781, t783, t784, t788, t793
+ | ^
+note: 't793' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3590:92:
+
+ 3590 | t2511) + 0.3e1_dp/0.2e1_dp*(t474)*(t481)*(t2515)
+ | ^
+Warning: 't796' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2696:27:
+
+ 2696 | REAL(KIND=dp) :: t796, t8, t80, t802, t805, t809, t81, t813, t816, t819, t82, t822, t823, &
+ | ^
+note: 't796' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3590:92:
+
+ 3590 | t2511) + 0.3e1_dp/0.2e1_dp*(t474)*(t481)*(t2515)
+ | ^
+Warning: 't802' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2696:42:
+
+ 2696 | REAL(KIND=dp) :: t796, t8, t80, t802, t805, t809, t81, t813, t816, t819, t82, t822, t823, &
+ | ^
+note: 't802' 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="\"Tue Apr 1 03:41:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_se.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_se.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3590:92:
+
+ 3590 | t2511) + 0.3e1_dp/0.2e1_dp*(t474)*(t481)*(t2515)
+ | ^
+Warning: 't805' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2696:48:
+
+ 2696 | REAL(KIND=dp) :: t796, t8, t80, t802, t805, t809, t81, t813, t816, t819, t82, t822, t823, &
+ | ^
+note: 't805' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3483:44:
+
+ 3483 | - t852*t519 + f12*t2053*t94
+ | ^
+Warning: 't809' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2696:54:
+
+ 2696 | REAL(KIND=dp) :: t796, t8, t80, t802, t805, t809, t81, t813, t816, t819, t82, t822, t823, &
+ | ^
+note: 't809' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3566:107:
+
+ 3566 | *t1139 - t243*t2336)*alpha6*t247*t249
+ | ^
+Warning: 't813' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2696:65:
+
+ 2696 | REAL(KIND=dp) :: t796, t8, t80, t802, t805, t809, t81, t813, t816, t819, t82, t822, t823, &
+ | ^
+note: 't813' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3566:107:
+
+ 3566 | *t1139 - t243*t2336)*alpha6*t247*t249
+ | ^
+Warning: 't816' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2696:71:
+
+ 2696 | REAL(KIND=dp) :: t796, t8, t80, t802, t805, t809, t81, t813, t816, t819, t82, t822, t823, &
+ | ^
+note: 't816' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3620:82:
+
+ 3620 | *t238*t1139 + t289*t2336)*alpha8*t296)
+ | ^
+Warning: 't822' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2696:88:
+
+ 2696 | REAL(KIND=dp) :: t796, t8, t80, t802, t805, t809, t81, t813, t816, t819, t82, t822, t823, &
+ | ^
+note: 't822' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3620:82:
+
+ 3620 | *t238*t1139 + t289*t2336)*alpha8*t296)
+ | ^
+Warning: 't823' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2696:94:
+
+ 2696 | REAL(KIND=dp) :: t796, t8, t80, t802, t805, t809, t81, t813, t816, t819, t82, t822, t823, &
+ | ^
+note: 't823' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3444:53:
+
+ 3444 | 0.10e2_dp*t659*t234*t127*t452*(t407)
+ | ^
+Warning: 't833' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2697:24:
+
+ 2697 | t83, t830, t833, t839, t84, t85, t852, t860, t862, t87, t875, t88, t886, t9, t90, t903, &
+ | ^
+note: 't833' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3444:53:
+
+ 3444 | 0.10e2_dp*t659*t234*t127*t452*(t407)
+ | ^
+Warning: 't839' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2697:30:
+
+ 2697 | t83, t830, t833, t839, t84, t85, t852, t860, t862, t87, t875, t88, t886, t9, t90, t903, &
+ | ^
+note: 't839' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3483:44:
+
+ 3483 | - t852*t519 + f12*t2053*t94
+ | ^
+Warning: 't852' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2697:46:
+
+ 2697 | t83, t830, t833, t839, t84, t85, t852, t860, t862, t87, t875, t88, t886, t9, t90, t903, &
+ | ^
+note: 't852' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3540:45:
+
+ 3540 | - (5._dp*t1726*t506*t6*t407)
+ | ^
+Warning: 't860' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2697:52:
+
+ 2697 | t83, t830, t833, t839, t84, t85, t852, t860, t862, t87, t875, t88, t886, t9, t90, t903, &
+ | ^
+note: 't860' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3460:132:
+
+ 3460 | *t407)
+ | ^
+Warning: 't875' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2697:69:
+
+ 2697 | t83, t830, t833, t839, t84, t85, t852, t860, t862, t87, t875, t88, t886, t9, t90, t903, &
+ | ^
+note: 't875' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3483:44:
+
+ 3483 | - t852*t519 + f12*t2053*t94
+ | ^
+Warning: 't886' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2697:80:
+
+ 2697 | t83, t830, t833, t839, t84, t85, t852, t860, t862, t87, t875, t88, t886, t9, t90, t903, &
+ | ^
+note: 't886' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3444:53:
+
+ 3444 | 0.10e2_dp*t659*t234*t127*t452*(t407)
+ | ^
+Warning: 't903' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2697:95:
+
+ 2697 | t83, t830, t833, t839, t84, t85, t852, t860, t862, t87, t875, t88, t886, t9, t90, t903, &
+ | ^
+note: 't903' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3444:53:
+
+ 3444 | 0.10e2_dp*t659*t234*t127*t452*(t407)
+ | ^
+Warning: 't917' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2698:18:
+
+ 2698 | t91, t917, t919, t92, t920, t923, t928, t93, t930, t932, t933, t936, t938, t939, t94, &
+ | ^
+note: 't917' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3542:89:
+
+ 3542 | t2274)*Clda)*sx
+ | ^
+Warning: 't920' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2698:35:
+
+ 2698 | t91, t917, t919, t92, t920, t923, t928, t93, t930, t932, t933, t936, t938, t939, t94, &
+ | ^
+note: 't920' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3546:60:
+
+ 3546 | t2306 = d2exerndrhondrho(Q, dQndrho, d2Qndrhondrho)
+ | ^
+Warning: 'dqndrho' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2654:69:
+
+ 2654 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
+ | ^
+note: 'dqndrho' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3426:63:
+
+ 3426 | t1816 = d2exerrhondrho(Q, dQrho, dQndrho, d2Qrhondrho)
+ | ^
+Warning: 'dqrho' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2654:76:
+
+ 2654 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
+ | ^
+note: 'dqrho' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_fxc_kernel.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_fxc_kernel.F xc_fxc_kernel.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_fxc_kernel.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_fxc_kernel.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_nonbond_force.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_tmc.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/input_cp2k_tmc.F input_cp2k_tmc.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_poisson_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/input_cp2k_tmc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' input_cp2k_tmc.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/semi_empirical_utils.F semi_empirical_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_subsys.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_utils.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:594:39:
+
+ 594 | t306 = 0.1e1_dp/t10/t224
+ | ^
+Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_p_env_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_p_env_types.F qs_p_env_types.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:273:83:
+
+ 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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:48:
+
+ 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
+ | ^
+note: 't102' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:605:39:
+
+ 605 | t326 = 0.1e1_dp/t103/t35
+ | ^
+Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:75:
+
+ 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
+ | ^
+note: 't103' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:20:
+
+ 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
+ | ^
+note: 't104' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:747:31:
+
+ 747 | t646 = t105*t645
+ | ^
+Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:47:
+
+ 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
+ | ^
+note: 't105' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1462:31:
+
+ 1462 | t2204 = t10*t106
+ | ^
+Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:95:
+
+ 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
+ | ^
+note: 't106' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:631:32:
+
+ 631 | *t366*t372
+ | ^
+Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76:
+
+ 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368
+ | ^
+Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:20:
+
+ 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
+ | ^
+note: 't123' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:746:73:
+
+ 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371
+ | ^
+Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:68:
+
+ 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
+ | ^
+note: 't126' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:746:73:
+
+ 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371
+ | ^
+Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:86:
+
+ 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
+ | ^
+note: 't132' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:746:73:
+
+ 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371
+ | ^
+Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:13:
+
+ 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
+ | ^
+note: 't133' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:750:49:
+
+ 750 | *t615 - 0.20e1_dp*t102*t646
+ | ^
+Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:74:
+
+ 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
+ | ^
+note: 't137' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:714:98:
+
+ 714 | t46*t541))*sx
+ | ^
+Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:284:87:
+
+ 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, &
+ | ^
+note: 't141' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:641:31:
+
+ 641 | t393 = t392*t149
+ | ^
+Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:287:76:
+
+ 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, &
+ | ^
+note: 't149' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:647:30:
+
+ 647 | t405 = t151*t44
+ | ^
+Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:288:80:
+
+ 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, &
+ | ^
+note: 't151' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:654:35:
+
+ 654 | *t49*t245*t25
+ | ^
+Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:290:55:
+
+ 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, &
+ | ^
+note: 't155' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:290:89:
+
+ 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, &
+ | ^
+note: 't156' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:561:28:
+
+ 561 | t224 = t9*t16
+ | ^
+Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:292:89:
+
+ 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, &
+ | ^
+note: 't16' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:642:31:
+
+ 642 | t394 = t393*t160
+ | ^
+Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/pw/' pw_poisson_methods.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:783:70:
+
+ 783 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735
+ | ^
+Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:293:55:
+
+ 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613
+ | ^
+note: 't161' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:661:31:
+
+ 661 | t445 = t164*t444
+ | ^
+Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:295:62:
+
+ 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, &
+ | ^
+note: 't164' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:708:26:
+
+ 708 | t537
+ | ^
+Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:296:20:
+
+ 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, &
+ | ^
+note: 't165' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:708:26:
+
+ 708 | t537
+ | ^
+Warning: 't166' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:296:54:
+
+ 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, &
+ | ^
+note: 't166' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:708:26:
+
+ 708 | t537
+ | ^
+Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:298:19:
+
+ 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, &
+ | ^
+note: 't17' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:708:26:
+
+ 708 | t537
+ | ^
+Warning: 't170' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:298:25:
+
+ 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, &
+ | ^
+note: 't170' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:708:26:
+
+ 708 | t537
+ | ^
+Warning: 't171' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:783:70:
+
+ 783 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735
+ | ^
+Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:299:41:
+
+ 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, &
+ | ^
+note: 't172' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:668:30:
+
+ 668 | t470 = t176*t40
+ | ^
+Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:764:31:
+
+ 764 | t708 = t707*t177
+ | ^
+Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:301:89:
+
+ 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, &
+ | ^
+note: 't177' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:754:31:
+
+ 754 | t658 = t657*t178
+ | ^
+Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:302:41:
+
+ 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, &
+ | ^
+note: 't178' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36:
+
+ 2710 | t5011 + t5001
+ | ^
+Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:303:19:
+
+ 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, &
+ | ^
+note: 't18' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:679:35:
+
+ 679 | *t61*t262*t25
+ | ^
+Warning: 't182' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:303:81:
+
+ 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, &
+ | ^
+note: 't182' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:679:35:
+
+ 679 | *t61*t262*t25
+ | ^
+Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:304:41:
+
+ 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, &
+ | ^
+note: 't183' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:774:30:
+
+ 774 | t732 = t60*t187
+ | ^
+Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:305:62:
+
+ 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, &
+ | ^
+note: 't187' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:682:30:
+
+ 682 | t503 = t189*t67
+ | ^
+Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:306:34:
+
+ 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, &
+ | ^
+note: 't189' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:646:30:
+
+ 646 | t401 = t19*t140
+ | ^
+Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:306:67:
+
+ 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, &
+ | ^
+note: 't19' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:700:63:
+
+ 700 | *t192*t531 - 0.5555555558e-1_dp*t192*t534
+ | ^
+Warning: 't192' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:307:34:
+
+ 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925
+ | ^
+note: 't192' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:691:36:
+
+ 691 | t527 = t194*t187*t526
+ | ^
+Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:308:55:
+
+ 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, &
+ | ^
+note: 't194' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:578:30:
+
+ 578 | t271 = t195*t17
+ | ^
+Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:308:82:
+
+ 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, &
+ | ^
+note: 't195' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:309:20:
+
+ 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, &
+ | ^
+note: 't196' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:694:31:
+
+ 694 | t534 = t199*t267
+ | ^
+Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:310:48:
+
+ 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, &
+ | ^
+note: 't199' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:310:74:
+
+ 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, &
+ | ^
+note: 't20' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:778:87:
+
+ 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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:667:30:
+
+ 667 | t466 = t27*t203
+ | ^
+Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:76:
+
+ 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
+ | ^
+note: 't203' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:638:30:
+
+ 638 | t384 = t45*t207
+ | ^
+Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:684:29:
+
+ 684 | t511 = t22*t70
+ | ^
+Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:316:12:
+
+ 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, &
+ | ^
+note: 't22' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:717:66:
+
+ 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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:750:49:
+
+ 750 | *t615 - 0.20e1_dp*t102*t646
+ | ^
+Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:319:79:
+
+ 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, &
+ | ^
+note: 't24' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:708:26:
+
+ 708 | t537
+ | ^
+Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:320:80:
+
+ 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, &
+ | ^
+note: 't25' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2690:32:
+
+ 2690 | t6267 = t26*t1447
+ | ^
+Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:321:47:
+
+ 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622
+ | ^
+note: 't26' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:667:30:
+
+ 667 | t466 = t27*t203
+ | ^
+Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:322:85:
+
+ 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, &
+ | ^
+note: 't27' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:631:32:
+
+ 631 | *t366*t372
+ | ^
+Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:326:72:
+
+ 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, &
+ | ^
+note: 't31' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:331:19:
+
+ 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, &
+ | ^
+note: 't35' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:599:37:
+
+ 599 | t313 = t311*t36*my_rho
+ | ^
+Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:332:94:
+
+ 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, &
+ | ^
+note: 't36' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:719:61:
+
+ 719 | t561 = 0.40e1_dp*t24*t37 - 0.20e1_dp*t102*t558
+ | ^
+Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:334:19:
+
+ 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, &
+ | ^
+note: 't37' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:556:28:
+
+ 556 | t217 = t4*t41
+ | ^
+Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:337:65:
+
+ 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, &
+ | ^
+note: 't4' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:668:30:
+
+ 668 | t470 = t176*t40
+ | ^
+Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:337:70:
+
+ 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, &
+ | ^
+note: 't40' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:643:39:
+
+ 643 | t398 = 0.1e1_dp/t41/t176
+ | ^
+Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:338:52:
+
+ 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, &
+ | ^
+note: 't41' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:637:31:
+
+ 637 | t383 = t42*omega
+ | ^
+Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:338:97:
+
+ 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, &
+ | ^
+note: 't42' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:714:98:
+
+ 714 | t46*t541))*sx
+ | ^
+Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:714:98:
+
+ 714 | t46*t541))*sx
+ | ^
+Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:341:84:
+
+ 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, &
+ | ^
+note: 't46' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:644:30:
+
+ 644 | t399 = t47*t398
+ | ^
+Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:342:39:
+
+ 342 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707
+ | ^
+note: 't47' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:587:38:
+
+ 587 | t289 = my_rho*t48*omega
+ | ^
+Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:346:19:
+
+ 346 | t4797, t48, t4800, t4801, t4804, t4808, t4812, t4817, t4820, t4829, t4830, t4833, t4834, &
+ | ^
+note: 't48' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:654:35:
+
+ 654 | *t49*t245*t25
+ | ^
+Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:348:74:
+
+ 348 | t4881, t4884, t4887, t4889, t489, t4893, t4895, t4897, t4898, t49, t4901, t4904, t4905, &
+ | ^
+note: 't49' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:570:30:
+
+ 570 | t245*t17
+ | ^
+Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:351:59:
+
+ 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, &
+ | ^
+note: 't50' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:364:26:
+
+ 364 | REAL(KIND=dp) :: t55, t550, t5503, t5507, t5509, t551, t5511, t5516, t5523, t5525, t5528, &
+ | ^
+note: 't55' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:674:30:
+
+ 674 | t479 = t56*t140
+ | ^
+Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:367:33:
+
+ 367 | t5593, t5595, t5597, t56, t5600, t5602, t5604, t5607, t561, t5610, t5611, t5613, t5619, &
+ | ^
+note: 't56' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:585:27:
+
+ 585 | *t278
+ | ^
+Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:370:67:
+
+ 370 | t5686, t5689, t569, t5692, t5695, t5696, t5698, t5699, t57, t5701, t5705
+ | ^
+note: 't57' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:373:53:
+
+ 373 | t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, &
+ | ^
+note: 't58' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:763:30:
+
+ 763 | t707 = t187*t59
+ | ^
+Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:376:26:
+
+ 376 | t5891, t5898, t59, t590, t5902, t5905, t5908, t5911, t5913, t5918, t5922, t5925, t5926, &
+ | ^
+note: 't59' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:622:33:
+
+ 622 | t365 = t6*my_ndrho
+ | ^
+Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:379:59:
+
+ 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, &
+ | ^
+note: 't6' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:774:30:
+
+ 774 | t732 = t60*t187
+ | ^
+Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:379:64:
+
+ 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, &
+ | ^
+note: 't60' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:679:35:
+
+ 679 | *t61*t262*t25
+ | ^
+Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:382:73:
+
+ 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, &
+ | ^
+note: 't61' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:679:35:
+
+ 679 | *t61*t262*t25
+ | ^
+Warning: 't62' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:385:61:
+
+ 385 | REAL(KIND=dp) :: t6186, t6189, t6192, t6194, t6198, t62, t6201, t6207, t6210, t6213, t6216, &
+ | ^
+note: 't62' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:778:87:
+
+ 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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:687:30:
+
+ 687 | t516 = t66*t515
+ | ^
+Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:390:92:
+
+ 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, &
+ | ^
+note: 't66' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:648:30:
+
+ 648 | t406 = t68*t140
+ | ^
+Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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, &
+ | ^
+note: 't7' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:684:29:
+
+ 684 | t511 = t22*t70
+ | ^
+Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:778:87:
+
+ 778 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709
+ | ^
+Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:12:
+
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:663:30:
+
+ 663 | t450 = t114*t74
+ | ^
+Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:83:
+
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:714:98:
+
+ 714 | t46*t541))*sx
+ | ^
+Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:394:66:
+
+ 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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:714:98:
+
+ 714 | t46*t541))*sx
+ | ^
+Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:396:12:
+
+ 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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:593:28:
+
+ 593 | t302 = t7*t86
+ | ^
+Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:396:52:
+
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:746:73:
+
+ 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371
+ | ^
+Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:396:93:
+
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:750:49:
+
+ 750 | *t615 - 0.20e1_dp*t102*t646
+ | ^
+Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:397:30:
+
+ 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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:398:24:
+
+ 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941
+ | ^
+note: 't92' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:635:71:
+
+ 635 | *t322 + 0.40e1_dp*t102*t329 - 0.20e1_dp*t102*t376
+ | ^
+Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1467:70:
+
+ 1467 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058
+ | ^
+Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:398:64:
+
+ 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941
+ | ^
+note: 't94' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:612:38:
+
+ 612 | t341 = 0.1e1_dp/t19/t95
+ | ^
+Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:399:50:
+
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:739:30:
+
+ 739 | t627 = t97*t132
+ | ^
+Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:400:30:
+
+ 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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:401:12:
+
+ 401 | t99, t991, t995, t997, xx
+ | ^
+note: 't99' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1745:85:
+
+ 1745 | + t3288)
+ | ^
+Warning: 't214' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1745:85:
+
+ 1745 | + t3288)
+ | ^
+Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34:
+
+ 1551 | *t2565*t796
+ | ^
+Warning: 't218' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34:
+
+ 1551 | *t2565*t796
+ | ^
+Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1088:28:
+
+ 1088 | t1444
+ | ^
+Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1745:85:
+
+ 1745 | + t3288)
+ | ^
+Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34:
+
+ 1692 | *t503*t2312
+ | ^
+Warning: 't275' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1745:85:
+
+ 1745 | + t3288)
+ | ^
+Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:324:13:
+
+ 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, &
+ | ^
+note: 't282' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1067:96:
+
+ 1067 | t804 - 0.4444444448e0_dp*t43*t894 + t8*t1401)*sx
+ | ^
+Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1580:69:
+
+ 1580 | *t55*t1082 - 0.1000000001e1_dp*t165*t2631*t237
+ | ^
+Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:324:88:
+
+ 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, &
+ | ^
+note: 't289' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1737:66:
+
+ 1737 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160
+ | ^
+Warning: 't290' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:324:94:
+
+ 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, &
+ | ^
+note: 't290' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1737:66:
+
+ 1737 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160
+ | ^
+Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:325:27:
+
+ 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, &
+ | ^
+note: 't294' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29:
+
+ 1063 | *t1397
+ | ^
+Warning: 't295' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:325:33:
+
+ 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, &
+ | ^
+note: 't295' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:325:39:
+
+ 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, &
+ | ^
+note: 't298' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1150:49:
+
+ 1150 | t1579 = 0.1173333333e3_dp*t24*t299
+ | ^
+Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:325:45:
+
+ 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, &
+ | ^
+note: 't299' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55:
+
+ 1569 | 0.5866666667e2_dp*t962*t949*t375
+ | ^
+Warning: 't302' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:325:72:
+
+ 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, &
+ | ^
+note: 't302' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:326:20:
+
+ 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, &
+ | ^
+note: 't307' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:901:31:
+
+ 901 | t1033 = t308*t12
+ | ^
+Warning: 't308' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:326:33:
+
+ 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, &
+ | ^
+note: 't308' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:326:78:
+
+ 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, &
+ | ^
+note: 't311' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1157:51:
+
+ 1157 | t1591 = 0.1173333333e3_dp*t1589*t313
+ | ^
+Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:326:91:
+
+ 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, &
+ | ^
+note: 't313' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55:
+
+ 1569 | 0.5866666667e2_dp*t962*t949*t375
+ | ^
+Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:327:20:
+
+ 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, &
+ | ^
+note: 't316' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55:
+
+ 1569 | 0.5866666667e2_dp*t962*t949*t375
+ | ^
+Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:327:26:
+
+ 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, &
+ | ^
+note: 't317' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:327:45:
+
+ 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, &
+ | ^
+note: 't321' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1168:50:
+
+ 1168 | t1607 = 0.1066666667e2_dp*t339*t322
+ | ^
+Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:868:30:
+
+ 868 | t953 = t97*t326
+ | ^
+Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:327:78:
+
+ 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, &
+ | ^
+note: 't326' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:328:33:
+
+ 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329
+ | ^
+note: 't328' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1173:42:
+
+ 1173 | t1615 = 0.80e1_dp*t112*t329
+ | ^
+Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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
+ | ^
+Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:328:80:
+
+ 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329
+ | ^
+note: 't332' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:329:76:
+
+ 329 | REAL(KIND=dp) :: t3339, t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, &
+ | ^
+note: 't336' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1168:50:
+
+ 1168 | t1607 = 0.1066666667e2_dp*t339*t322
+ | ^
+Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54:
+
+ 1842 | + 0.3200000000e2_dp*t1055*t3674
+ | ^
+Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:330:46:
+
+ 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, &
+ | ^
+note: 't342' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1194:51:
+
+ 1194 | t1647 = 0.5600000000e2_dp*t1645*t343
+ | ^
+Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:330:52:
+
+ 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, &
+ | ^
+note: 't343' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:330:72:
+
+ 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, &
+ | ^
+note: 't347' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34:
+
+ 1551 | *t2565*t796
+ | ^
+Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1198:51:
+
+ 1198 | t1656 = 0.8000000000e1_dp*t1429*t352
+ | ^
+Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:331:73:
+
+ 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, &
+ | ^
+note: 't352' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:906:35:
+
+ 906 | t1002*my_rho
+ | ^
+Warning: 't356' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:332:41:
+
+ 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, &
+ | ^
+note: 't356' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76:
+
+ 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368
+ | ^
+Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34:
+
+ 1551 | *t2565*t796
+ | ^
+Warning: 't360' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:333:13:
+
+ 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, &
+ | ^
+note: 't360' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1202:42:
+
+ 1202 | t1664 = 0.60e1_dp*t550*t362
+ | ^
+Warning: 't362' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:333:33:
+
+ 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, &
+ | ^
+note: 't362' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34:
+
+ 1551 | *t2565*t796
+ | ^
+Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34:
+
+ 1551 | *t2565*t796
+ | ^
+Warning: 't366' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34:
+
+ 1551 | *t2565*t796
+ | ^
+Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34:
+
+ 1551 | *t2565*t796
+ | ^
+Warning: 't371' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55:
+
+ 1569 | 0.5866666667e2_dp*t962*t949*t375
+ | ^
+Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:334:51:
+
+ 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, &
+ | ^
+note: 't375' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:334:64:
+
+ 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, &
+ | ^
+note: 't376' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76:
+
+ 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368
+ | ^
+Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29:
+
+ 1063 | *t1397
+ | ^
+Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29:
+
+ 1063 | *t1397
+ | ^
+Warning: 't387' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1036:33:
+
+ 1036 | t1367 = omega*t398
+ | ^
+Warning: 't398' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:337:48:
+
+ 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, &
+ | ^
+note: 't398' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1524:40:
+
+ 1524 | *t1368*t166*t2160
+ | ^
+Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:337:76:
+
+ 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, &
+ | ^
+note: 't400' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1524:40:
+
+ 1524 | *t1368*t166*t2160
+ | ^
+Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:338:27:
+
+ 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, &
+ | ^
+note: 't405' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1634:65:
+
+ 1634 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237
+ | ^
+Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:338:33:
+
+ 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, &
+ | ^
+note: 't406' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80:
+
+ 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264
+ | ^
+Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:338:72:
+
+ 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, &
+ | ^
+note: 't413' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1634:65:
+
+ 1634 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237
+ | ^
+Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:338:92:
+
+ 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, &
+ | ^
+note: 't417' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1647:57:
+
+ 1647 | - 0.5000000001e0_dp*t429*t437*t914
+ | ^
+Warning: 't424' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:339:34:
+
+ 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, &
+ | ^
+note: 't424' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1308:55:
+
+ 1308 | t1861 = 0.1800000000e2_dp*t658*t575*t425
+ | ^
+Warning: 't425' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:339:40:
+
+ 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, &
+ | ^
+note: 't425' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1053:28:
+
+ 1053 | *t237
+ | ^
+Warning: 't450' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1053:28:
+
+ 1053 | *t237
+ | ^
+Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1659:33:
+
+ 1659 | t1176*t804
+ | ^
+Warning: 't474' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:344:55:
+
+ 344 | t4732, t4733, t4734, t4736, t4738, t4739, t474, t4743, t4744, t4748, t4760, t4764, t4768, &
+ | ^
+note: 't474' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1659:33:
+
+ 1659 | t1176*t804
+ | ^
+Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:345:75:
+
+ 345 | t4769, t4770, t4771, t4772, t4776, t478, t4782, t4786, t4789, t479, t4790, t4793, t4796, &
+ | ^
+note: 't479' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34:
+
+ 1692 | *t503*t2312
+ | ^
+Warning: 't512' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83:
+
+ 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134
+ | ^
+Warning: 't515' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:354:95:
+
+ 354 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, &
+ | ^
+note: 't515' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83:
+
+ 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134
+ | ^
+Warning: 't516' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:355:13:
+
+ 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, &
+ | ^
+note: 't516' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83:
+
+ 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134
+ | ^
+Warning: 't517' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:355:26:
+
+ 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, &
+ | ^
+note: 't517' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83:
+
+ 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134
+ | ^
+Warning: 't520' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:355:46:
+
+ 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, &
+ | ^
+note: 't520' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1701:64:
+
+ 1701 | *t2622*t71 - 0.1666666668e0_dp*t1106*t886
+ | ^
+Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:356:20:
+
+ 356 | t5256, t526, t5262, t527, t5270, t5271, t5276, t5280, t5281, t5284
+ | ^
+note: 't526' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34:
+
+ 1692 | *t503*t2312
+ | ^
+Warning: 't527' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34:
+
+ 1692 | *t503*t2312
+ | ^
+Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34:
+
+ 1692 | *t503*t2312
+ | ^
+Warning: 't531' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34:
+
+ 2260 | *t105*t5118
+ | ^
+Warning: 't558' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1364:56:
+
+ 1364 | t1987 = 0.8333333335e-1_dp*t429*t437*t593
+ | ^
+Warning: 't593' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:377:20:
+
+ 377 | t5929, t593, t5932, t5938, t5940, t5942, t5944, t5949, t5952
+ | ^
+note: 't593' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34:
+
+ 2260 | *t105*t5118
+ | ^
+Warning: 't609' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34:
+
+ 2260 | *t105*t5118
+ | ^
+Warning: 't615' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2386:51:
+
+ 2386 | t5480 = 0.1760000000e3_dp*t5060*t627
+ | ^
+Warning: 't627' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:387:27:
+
+ 387 | t6267, t6268, t627, t6271, t628, t6281, t6283, t6290, t6291, t63, t6308, t6338, t6339, &
+ | ^
+note: 't627' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66:
+
+ 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681
+ | ^
+Warning: 't628' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:387:40:
+
+ 387 | t6267, t6268, t627, t6271, t628, t6281, t6283, t6290, t6291, t63, t6308, t6338, t6339, &
+ | ^
+note: 't628' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1207:37:
+
+ 1207 | t1677 = t368*t635*t371
+ | ^
+Warning: 't635' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:388:20:
+
+ 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, &
+ | ^
+note: 't635' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66:
+
+ 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681
+ | ^
+Warning: 't637' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:388:47:
+
+ 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, &
+ | ^
+note: 't637' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1398:32:
+
+ 1398 | t2054 = t786*t640
+ | ^
+Warning: 't640' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:388:88:
+
+ 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, &
+ | ^
+note: 't640' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1178:32:
+
+ 1178 | t1621 = t645*t233
+ | ^
+Warning: 't645' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:389:41:
+
+ 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, &
+ | ^
+note: 't645' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34:
+
+ 2260 | *t105*t5118
+ | ^
+Warning: 't646' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:389:54:
+
+ 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, &
+ | ^
+note: 't646' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1316:55:
+
+ 1316 | t1881 = 0.1666666667e0_dp*t165*t437*t649
+ | ^
+Warning: 't649' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:389:74:
+
+ 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, &
+ | ^
+note: 't649' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1132:49:
+
+ 1132 | t1545 = 0.3333333336e0_dp*t55*t650
+ | ^
+Warning: 't650' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:390:13:
+
+ 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, &
+ | ^
+note: 't650' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1219:49:
+
+ 1219 | t1693 = 0.3333333336e0_dp*t55*t653
+ | ^
+Warning: 't653' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:390:33:
+
+ 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, &
+ | ^
+note: 't653' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1415:39:
+
+ 1415 | t2081*t575*t2082
+ | ^
+Warning: 't658' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:390:73:
+
+ 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, &
+ | ^
+note: 't658' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1368:55:
+
+ 1368 | t1997 = 0.1666666667e0_dp*t165*t171*t668
+ | ^
+Warning: 't668' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:391:76:
+
+ 391 | t6603, t6611, t6620, t6621, t6630, t6640, t6658, t6665, t6669, t668
+ | ^
+note: 't668' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1312:39:
+
+ 1312 | t1871 = 2*t147*t393*t672
+ | ^
+Warning: 't672' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:32:
+
+ 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
+ | ^
+note: 't672' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2306:68:
+
+ 2306 | *t462*t4729 + 0.3333333334e0_dp*t55*t57*t5276
+ | ^
+Warning: 't673' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:38:
+
+ 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
+ | ^
+note: 't673' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1305:56:
+
+ 1305 | t1852 = 0.8333333335e-1_dp*t429*t679*t290
+ | ^
+Warning: 't679' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:44:
+
+ 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
+ | ^
+note: 't679' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1313:54:
+
+ 1313 | t1874 = 0.3333333334e0_dp*t170*t689*t25
+ | ^
+Warning: 't689' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:55:
+
+ 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
+ | ^
+note: 't689' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1234:32:
+
+ 1234 | t1718 = t705*t266
+ | ^
+Warning: 't705' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:75:
+
+ 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
+ | ^
+note: 't705' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1428:33:
+
+ 1428 | t2118 = t707*t2117
+ | ^
+Warning: 't707' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:81:
+
+ 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
+ | ^
+note: 't707' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1424:54:
+
+ 1424 | + t1752 - t1754 - t1757 - t1760
+ | ^
+Warning: 't708' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:87:
+
+ 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
+ | ^
+note: 't708' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1419:32:
+
+ 1419 | t2099 = t709*t237
+ | ^
+Warning: 't709' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:392:93:
+
+ 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, &
+ | ^
+note: 't709' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1278:51:
+
+ 1278 | t1797 = 0.8999999998e1_dp*t1795*t710
+ | ^
+Warning: 't710' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:18:
+
+ 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
+ | ^
+note: 't710' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1232:31:
+
+ 1232 | t1715 = t713*t67
+ | ^
+Warning: 't713' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:24:
+
+ 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
+ | ^
+note: 't713' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1424:54:
+
+ 1424 | + t1752 - t1754 - t1757 - t1760
+ | ^
+Warning: 't716' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:30:
+
+ 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
+ | ^
+note: 't716' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1250:50:
+
+ 1250 | t1752 = 0.1851851853e0_dp*t719*t512
+ | ^
+Warning: 't719' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:36:
+
+ 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
+ | ^
+note: 't719' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1244:36:
+
+ 1244 | t1737 = t722*t561*t65
+ | ^
+Warning: 't722' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:42:
+
+ 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
+ | ^
+note: 't722' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1276:51:
+
+ 1276 | t1794 = 0.1000000001e1_dp*t723*t1712
+ | ^
+Warning: 't723' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:48:
+
+ 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
+ | ^
+note: 't723' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1270:32:
+
+ 1270 | t1782 = t728*t267
+ | ^
+Warning: 't728' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:54:
+
+ 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
+ | ^
+note: 't728' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1274:51:
+
+ 1274 | t1789 = 0.5555555558e-1_dp*t508*t729
+ | ^
+Warning: 't729' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:60:
+
+ 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
+ | ^
+note: 't729' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1231:51:
+
+ 1231 | t1714 = 0.5000000001e0_dp*t732*t1712
+ | ^
+Warning: 't732' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:66:
+
+ 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
+ | ^
+note: 't732' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1353:31:
+
+ 1353 | t1966 = t56*t735
+ | ^
+Warning: 't735' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:72:
+
+ 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
+ | ^
+note: 't735' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1220:31:
+
+ 1220 | t1694 = t45*t739
+ | ^
+Warning: 't739' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:393:78:
+
+ 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, &
+ | ^
+note: 't739' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29:
+
+ 1832 | *t3339
+ | ^
+Warning: 't1000' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:273:90:
+
+ 273 | REAL(KIND=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t1000, t1002, &
+ | ^
+note: 't1000' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54:
+
+ 1842 | + 0.3200000000e2_dp*t1055*t3674
+ | ^
+Warning: 't1004' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:14:
+
+ 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
+ | ^
+note: 't1004' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+
+ 1851 | *t786*t1034*t1681
+ | ^
+Warning: 't1008' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:21:
+
+ 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
+ | ^
+note: 't1008' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+
+ 1851 | *t786*t1034*t1681
+ | ^
+Warning: 't1012' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:28:
+
+ 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
+ | ^
+note: 't1012' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32:
+
+ 1765 | t12*t1058
+ | ^
+Warning: 't1014' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:35:
+
+ 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
+ | ^
+note: 't1014' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+
+ 1851 | *t786*t1034*t1681
+ | ^
+Warning: 't1021' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:55:
+
+ 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
+ | ^
+note: 't1021' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+
+ 1851 | *t786*t1034*t1681
+ | ^
+Warning: 't1024' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:62:
+
+ 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
+ | ^
+note: 't1024' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+
+ 1851 | *t786*t1034*t1681
+ | ^
+Warning: 't1026' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:69:
+
+ 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
+ | ^
+note: 't1026' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+
+ 1851 | *t786*t1034*t1681
+ | ^
+Warning: 't1030' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:82:
+
+ 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
+ | ^
+note: 't1030' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+
+ 1851 | *t786*t1034*t1681
+ | ^
+Warning: 't1034' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:274:96:
+
+ 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, &
+ | ^
+note: 't1034' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+
+ 1851 | *t786*t1034*t1681
+ | ^
+Warning: 't1036' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:14:
+
+ 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
+ | ^
+note: 't1036' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54:
+
+ 1842 | + 0.3200000000e2_dp*t1055*t3674
+ | ^
+Warning: 't1044' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:34:
+
+ 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
+ | ^
+note: 't1044' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54:
+
+ 1842 | + 0.3200000000e2_dp*t1055*t3674
+ | ^
+Warning: 't1046' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:41:
+
+ 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
+ | ^
+note: 't1046' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+
+ 1851 | *t786*t1034*t1681
+ | ^
+Warning: 't1050' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:54:
+
+ 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
+ | ^
+note: 't1050' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40:
+
+ 2726 | *t1054*t640*t3679
+ | ^
+Warning: 't1054' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:61:
+
+ 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
+ | ^
+note: 't1054' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67:
+
+ 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721
+ | ^
+Warning: 't1055' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:68:
+
+ 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
+ | ^
+note: 't1055' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59:
+
+ 2156 | - 0.2400000000e2_dp*t786/t2492*t1058
+ | ^
+Warning: 't1058' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:275:82:
+
+ 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, &
+ | ^
+note: 't1058' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40:
+
+ 2726 | *t1054*t640*t3679
+ | ^
+Warning: 't1060' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:276:14:
+
+ 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, &
+ | ^
+note: 't1060' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39:
+
+ 1858 | *t321*t953*t1625
+ | ^
+Warning: 't1063' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:276:21:
+
+ 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, &
+ | ^
+note: 't1063' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29:
+
+ 1832 | *t3339
+ | ^
+Warning: 't1064' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:276:28:
+
+ 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, &
+ | ^
+note: 't1064' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1932:34:
+
+ 1932 | t1292*t1829
+ | ^
+Warning: 't1067' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:276:35:
+
+ 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, &
+ | ^
+note: 't1067' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2322:56:
+
+ 2322 | t5320 = 0.3333333336e0_dp*t83*t1071*t4729
+ | ^
+Warning: 't1071' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:276:55:
+
+ 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, &
+ | ^
+note: 't1071' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41:
+
+ 2035 | *t1246*t3244*t1483
+ | ^
+Warning: 't1085' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:276:89:
+
+ 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, &
+ | ^
+note: 't1085' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60:
+
+ 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410
+ | ^
+Warning: 't1093' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:14:
+
+ 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
+ | ^
+note: 't1093' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41:
+
+ 1984 | t192*t68*t4256*t65
+ | ^
+Warning: 't1097' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:21:
+
+ 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
+ | ^
+note: 't1097' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60:
+
+ 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410
+ | ^
+Warning: 't1100' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:40:
+
+ 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
+ | ^
+note: 't1100' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41:
+
+ 1984 | t192*t68*t4256*t65
+ | ^
+Warning: 't1101' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:47:
+
+ 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
+ | ^
+note: 't1101' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66:
+
+ 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451
+ | ^
+Warning: 't1106' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:54:
+
+ 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
+ | ^
+note: 't1106' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64:
+
+ 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526
+ | ^
+Warning: 't1109' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:61:
+
+ 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
+ | ^
+note: 't1109' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37:
+
+ 1955 | *t58*t3796*t71
+ | ^
+Warning: 't1111' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:68:
+
+ 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
+ | ^
+note: 't1111' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67:
+
+ 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119
+ | ^
+Warning: 't1119' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:75:
+
+ 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
+ | ^
+note: 't1119' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66:
+
+ 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726
+ | ^
+Warning: 't1122' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:88:
+
+ 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
+ | ^
+note: 't1122' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67:
+
+ 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119
+ | ^
+Warning: 't1125' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:277:95:
+
+ 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, &
+ | ^
+note: 't1125' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37:
+
+ 1955 | *t58*t3796*t71
+ | ^
+Warning: 't1126' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:14:
+
+ 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
+ | ^
+note: 't1126' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64:
+
+ 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526
+ | ^
+Warning: 't1129' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:21:
+
+ 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
+ | ^
+note: 't1129' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66:
+
+ 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726
+ | ^
+Warning: 't1134' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:28:
+
+ 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
+ | ^
+note: 't1134' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66:
+
+ 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726
+ | ^
+Warning: 't1137' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:35:
+
+ 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
+ | ^
+note: 't1137' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2796:40:
+
+ 2796 | t6596 = t5247*t1141*t4733
+ | ^
+Warning: 't1141' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:55:
+
+ 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
+ | ^
+note: 't1141' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76:
+
+ 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160)
+ | ^
+Warning: 't1142' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:62:
+
+ 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
+ | ^
+note: 't1142' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2506:57:
+
+ 2506 | t5801 = 0.3600000000e2_dp*t1143*t479*t5002
+ | ^
+Warning: 't1143' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:69:
+
+ 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
+ | ^
+note: 't1143' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2529:57:
+
+ 2529 | t5864 = 0.1800000000e2_dp*t473*t1150*t4729
+ | ^
+Warning: 't1150' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:82:
+
+ 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
+ | ^
+note: 't1150' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29:
+
+ 1976 | *t3382
+ | ^
+Warning: 't1157' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:278:89:
+
+ 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, &
+ | ^
+note: 't1157' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39:
+
+ 1966 | *t478*t183*t3918
+ | ^
+Warning: 't1161' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:279:14:
+
+ 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193
+ | ^
+note: 't1161' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41:
+
+ 2035 | *t1246*t3244*t1483
+ | ^
+Warning: 't1168' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:279:21:
+
+ 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193
+ | ^
+note: 't1168' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41:
+
+ 2035 | *t1246*t3244*t1483
+ | ^
+Warning: 't1172' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:279:28:
+
+ 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193
+ | ^
+note: 't1172' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2512:57:
+
+ 2512 | t5819 = 0.1800000000e2_dp*t478*t1176*t4729
+ | ^
+Warning: 't1176' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:279:35:
+
+ 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193
+ | ^
+note: 't1176' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70:
+
+ 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267
+ | ^
+Warning: 't1189' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:279:42:
+
+ 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193
+ | ^
+note: 't1189' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66:
+
+ 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235
+ | ^
+Warning: 't1192' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:279:62:
+
+ 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193
+ | ^
+note: 't1192' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66:
+
+ 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451
+ | ^
+Warning: 't1193' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:279:69:
+
+ 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193
+ | ^
+note: 't1193' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66:
+
+ 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235
+ | ^
+Warning: 't1194' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:280:28:
+
+ 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, &
+ | ^
+note: 't1194' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66:
+
+ 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726
+ | ^
+Warning: 't1200' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:280:40:
+
+ 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, &
+ | ^
+note: 't1200' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67:
+
+ 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119
+ | ^
+Warning: 't1201' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:280:47:
+
+ 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, &
+ | ^
+note: 't1201' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37:
+
+ 1955 | *t58*t3796*t71
+ | ^
+Warning: 't1207' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:280:61:
+
+ 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, &
+ | ^
+note: 't1207' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41:
+
+ 1984 | t192*t68*t4256*t65
+ | ^
+Warning: 't1213' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:280:75:
+
+ 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, &
+ | ^
+note: 't1213' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64:
+
+ 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526
+ | ^
+Warning: 't1216' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:280:82:
+
+ 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, &
+ | ^
+note: 't1216' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67:
+
+ 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119
+ | ^
+Warning: 't1221' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:280:95:
+
+ 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, &
+ | ^
+note: 't1221' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66:
+
+ 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726
+ | ^
+Warning: 't1224' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:14:
+
+ 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
+ | ^
+note: 't1224' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66:
+
+ 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235
+ | ^
+Warning: 't1235' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:27:
+
+ 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
+ | ^
+note: 't1235' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2498:59:
+
+ 2498 | t5776 = 0.2777777778e-1_dp*t1246*t1247*t5009
+ | ^
+Warning: 't1246' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:48:
+
+ 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
+ | ^
+note: 't1246' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71:
+
+ 2062 | *t3507 - t3512)*t149*t160
+ | ^
+Warning: 't1247' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:55:
+
+ 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
+ | ^
+note: 't1247' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66:
+
+ 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410
+ | ^
+Warning: 't1264' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:75:
+
+ 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
+ | ^
+note: 't1264' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71:
+
+ 2062 | *t3507 - t3512)*t149*t160
+ | ^
+Warning: 't1275' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:89:
+
+ 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
+ | ^
+note: 't1275' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2020:39:
+
+ 2020 | *t429*t1928*t290
+ | ^
+Warning: 't1283' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:281:96:
+
+ 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, &
+ | ^
+note: 't1283' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44:
+
+ 2043 | + (2*t147*t1284*t672)
+ | ^
+Warning: 't1284' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:14:
+
+ 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
+ | ^
+note: 't1284' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2365:57:
+
+ 2365 | t5429 = 0.1666666667e0_dp*t445*t1292*t5143
+ | ^
+Warning: 't1292' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:28:
+
+ 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
+ | ^
+note: 't1292' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54:
+
+ 2717 | + 0.4500000000e1_dp*t2009*t4744
+ | ^
+Warning: 't1300' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:46:
+
+ 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
+ | ^
+note: 't1300' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1901:33:
+
+ 1901 | t3939 = t1301*t245
+ | ^
+Warning: 't1301' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:53:
+
+ 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
+ | ^
+note: 't1301' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2464:57:
+
+ 2464 | t5679 = 0.1875000000e1_dp*t1302*t406*t5002
+ | ^
+Warning: 't1302' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:60:
+
+ 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
+ | ^
+note: 't1302' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2460:57:
+
+ 2460 | t5670 = 0.2250000000e1_dp*t400*t1309*t4729
+ | ^
+Warning: 't1309' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:67:
+
+ 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
+ | ^
+note: 't1309' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34:
+
+ 1924 | t1320*t1483
+ | ^
+Warning: 't1316' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:80:
+
+ 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
+ | ^
+note: 't1316' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34:
+
+ 1924 | t1320*t1483
+ | ^
+Warning: 't1320' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:282:93:
+
+ 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, &
+ | ^
+note: 't1320' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2449:57:
+
+ 2449 | t5641 = 0.1500000000e1_dp*t405*t1333*t4729
+ | ^
+Warning: 't1333' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:20:
+
+ 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
+ | ^
+note: 't1333' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40:
+
+ 1911 | *t400*t1333*t1410
+ | ^
+Warning: 't1340' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:27:
+
+ 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
+ | ^
+note: 't1340' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66:
+
+ 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410
+ | ^
+Warning: 't1348' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:41:
+
+ 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
+ | ^
+note: 't1348' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58:
+
+ 2052 | + 0.3333333334e0_dp*t165*t437*t1688
+ | ^
+Warning: 't1360' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:54:
+
+ 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
+ | ^
+note: 't1360' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38:
+
+ 1784 | t165*t171*t3449
+ | ^
+Warning: 't1368' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:68:
+
+ 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
+ | ^
+note: 't1368' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2505:40:
+
+ 2505 | t5797 = t1373*t1962*t1829
+ | ^
+Warning: 't1373' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:88:
+
+ 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
+ | ^
+note: 't1373' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41:
+
+ 2035 | *t1246*t3244*t1483
+ | ^
+Warning: 't1377' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:283:95:
+
+ 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, &
+ | ^
+note: 't1377' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60:
+
+ 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410
+ | ^
+Warning: 't1387' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:284:14:
+
+ 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, &
+ | ^
+note: 't1387' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44:
+
+ 2043 | + (2*t147*t1284*t672)
+ | ^
+Warning: 't1388' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:284:21:
+
+ 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, &
+ | ^
+note: 't1388' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2442:57:
+
+ 2442 | t5622 = 0.1666666667e0_dp*t165*t1392*t4729
+ | ^
+Warning: 't1392' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:284:28:
+
+ 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, &
+ | ^
+note: 't1392' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96:
+
+ 2099 | t3869 + t4657 + t4696)
+ | ^
+Warning: 't1409' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:284:81:
+
+ 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, &
+ | ^
+note: 't1409' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2219:56:
+
+ 2219 | t5022 = 0.1666666667e0_dp*t429*t679*t1410
+ | ^
+Warning: 't1410' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:284:94:
+
+ 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, &
+ | ^
+note: 't1410' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96:
+
+ 2099 | t3869 + t4657 + t4696)
+ | ^
+Warning: 't1411' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:14:
+
+ 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
+ | ^
+note: 't1411' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2380:51:
+
+ 2380 | t5468 = 0.2346666666e3_dp*t605*t1420
+ | ^
+Warning: 't1420' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:35:
+
+ 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
+ | ^
+note: 't1420' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2385:55:
+
+ 2385 | t5478 = 0.240e2_dp*t1616*t973*t645*t1425
+ | ^
+Warning: 't1425' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:42:
+
+ 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
+ | ^
+note: 't1425' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2162:56:
+
+ 2162 | t102*t4838 - 0.20e1_dp*t102*t4850
+ | ^
+Warning: 't1426' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:49:
+
+ 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
+ | ^
+note: 't1426' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40:
+
+ 1851 | *t786*t1034*t1681
+ | ^
+Warning: 't1429' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:56:
+
+ 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
+ | ^
+note: 't1429' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66:
+
+ 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681
+ | ^
+Warning: 't1438' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:70:
+
+ 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
+ | ^
+note: 't1438' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1843:34:
+
+ 1843 | t3679 = t2565*t1439
+ | ^
+Warning: 't1439' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:77:
+
+ 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
+ | ^
+note: 't1439' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59:
+
+ 2156 | - 0.2400000000e2_dp*t786/t2492*t1058
+ | ^
+Warning: 't1440' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:90:
+
+ 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
+ | ^
+note: 't1440' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2426:53:
+
+ 2426 | t5579 = 0.80e1_dp*t102*t327*t645*t1443
+ | ^
+Warning: 't1443' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:285:97:
+
+ 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, &
+ | ^
+note: 't1443' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2407:45:
+
+ 2407 | t5535 = 0.640e2_dp*t1582*t1444
+ | ^
+Warning: 't1444' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:286:14:
+
+ 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470
+ | ^
+note: 't1444' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2515:57:
+
+ 2515 | t5828 = 0.3600000000e2_dp*t473*t1801*t1447
+ | ^
+Warning: 't1447' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:286:21:
+
+ 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470
+ | ^
+note: 't1447' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38:
+
+ 2234 | + t5032 + t5035
+ | ^
+Warning: 't1459' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:286:48:
+
+ 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470
+ | ^
+note: 't1459' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38:
+
+ 2234 | + t5032 + t5035
+ | ^
+Warning: 't1466' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:286:61:
+
+ 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470
+ | ^
+note: 't1466' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38:
+
+ 1784 | t165*t171*t3449
+ | ^
+Warning: 't1470' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:286:74:
+
+ 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470
+ | ^
+note: 't1470' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38:
+
+ 2234 | + t5032 + t5035
+ | ^
+Warning: 't1471' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:287:28:
+
+ 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, &
+ | ^
+note: 't1471' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2634:59:
+
+ 2634 | t6112 = 0.5555555556e-1_dp*t1246*t4553*t1483
+ | ^
+Warning: 't1483' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:287:56:
+
+ 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, &
+ | ^
+note: 't1483' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2172:57:
+
+ 2172 | t4887 = 0.1800000000e2_dp*t473*t1493*t4729
+ | ^
+Warning: 't1493' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:287:90:
+
+ 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, &
+ | ^
+note: 't1493' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2175:39:
+
+ 2175 | t4895 = t478*t1500*t4729
+ | ^
+Warning: 't1500' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:288:32:
+
+ 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, &
+ | ^
+note: 't1500' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2540:37:
+
+ 2540 | t5898 = t705*t1504*t65
+ | ^
+Warning: 't1504' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:288:46:
+
+ 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, &
+ | ^
+note: 't1504' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2557:38:
+
+ 2557 | t5938 = t192*t728*t1505
+ | ^
+Warning: 't1505' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:288:53:
+
+ 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, &
+ | ^
+note: 't1505' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2182:57:
+
+ 2182 | t4907 = 0.2250000000e2_dp*t1506*t471*t4905
+ | ^
+Warning: 't1506' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:288:60:
+
+ 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, &
+ | ^
+note: 't1506' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2185:52:
+
+ 2185 | t4911 = 0.8999999998e1_dp*t1507*t4909
+ | ^
+Warning: 't1507' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:288:67:
+
+ 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, &
+ | ^
+note: 't1507' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41:
+
+ 1984 | t192*t68*t4256*t65
+ | ^
+Warning: 't1510' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:288:87:
+
+ 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, &
+ | ^
+note: 't1510' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2191:52:
+
+ 2191 | t4925 = 0.5000000001e0_dp*t1513*t4908
+ | ^
+Warning: 't1513' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:289:14:
+
+ 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, &
+ | ^
+note: 't1513' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2590:39:
+
+ 2590 | t6021 = t649*t1518*t1722
+ | ^
+Warning: 't1518' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:289:35:
+
+ 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, &
+ | ^
+note: 't1518' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2613:42:
+
+ 2613 | t6066 = t1519*t705*t561*t65
+ | ^
+Warning: 't1519' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:289:42:
+
+ 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, &
+ | ^
+note: 't1519' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2568:34:
+
+ 2568 | t5964 = t1715*t1525
+ | ^
+Warning: 't1525' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:289:56:
+
+ 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, &
+ | ^
+note: 't1525' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2193:52:
+
+ 2193 | t4932 = 0.5000000001e0_dp*t1528*t4908
+ | ^
+Warning: 't1528' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:289:63:
+
+ 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, &
+ | ^
+note: 't1528' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60:
+
+ 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410
+ | ^
+Warning: 't1531' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:289:77:
+
+ 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, &
+ | ^
+note: 't1531' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2165:42:
+
+ 2165 | t4864 = t217*t46*t1535*t561
+ | ^
+Warning: 't1535' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:289:84:
+
+ 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, &
+ | ^
+note: 't1535' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96:
+
+ 2099 | t3869 + t4657 + t4696)
+ | ^
+Warning: 't1536' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:289:91:
+
+ 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, &
+ | ^
+note: 't1536' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39:
+
+ 2080 | *t289*t294*t1553
+ | ^
+Warning: 't1546' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:290:35:
+
+ 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, &
+ | ^
+note: 't1546' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71:
+
+ 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314
+ | ^
+Warning: 't1547' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:290:42:
+
+ 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, &
+ | ^
+note: 't1547' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2658:56:
+
+ 2658 | t6185 = 0.3333333336e0_dp*t289*t597*t1553
+ | ^
+Warning: 't1553' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:290:69:
+
+ 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, &
+ | ^
+note: 't1553' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2667:56:
+
+ 2667 | t6201 = 0.3333333336e0_dp*t289*t597*t1557
+ | ^
+Warning: 't1557' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:290:83:
+
+ 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, &
+ | ^
+note: 't1557' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42:
+
+ 2088 | *t83*t45*t3581*t140
+ | ^
+Warning: 't1564' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:291:21:
+
+ 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, &
+ | ^
+note: 't1564' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39:
+
+ 1894 | *t165*t3865*t237
+ | ^
+Warning: 't1565' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:291:28:
+
+ 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, &
+ | ^
+note: 't1565' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39:
+
+ 1894 | *t165*t3865*t237
+ | ^
+Warning: 't1568' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:291:35:
+
+ 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, &
+ | ^
+note: 't1568' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2653:56:
+
+ 2653 | t6170 = 0.3333333336e0_dp*t289*t597*t1571
+ | ^
+Warning: 't1571' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:291:49:
+
+ 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, &
+ | ^
+note: 't1571' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42:
+
+ 2088 | *t83*t45*t3581*t140
+ | ^
+Warning: 't1575' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:291:63:
+
+ 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, &
+ | ^
+note: 't1575' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2375:46:
+
+ 2375 | t5456 = 0.1280e3_dp*t1582*t1426
+ | ^
+Warning: 't1582' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:291:91:
+
+ 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, &
+ | ^
+note: 't1582' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
+
+ 1866 | *t339*t969
+ | ^
+Warning: 't1589' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:292:35:
+
+ 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, &
+ | ^
+note: 't1589' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2417:52:
+
+ 2417 | t5560 = 0.2346666666e3_dp*t1589*t1592
+ | ^
+Warning: 't1592' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:292:49:
+
+ 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, &
+ | ^
+note: 't1592' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70:
+
+ 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631
+ | ^
+Warning: 't1597' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:292:70:
+
+ 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, &
+ | ^
+note: 't1597' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70:
+
+ 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631
+ | ^
+Warning: 't1598' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:292:77:
+
+ 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, &
+ | ^
+note: 't1598' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2414:49:
+
+ 2414 | t5551 = 0.1280e3_dp*t24*t298*t1599
+ | ^
+Warning: 't1599' 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="\"Tue Apr 1 03:41:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_subsys.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_subsys.F90
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:292:84:
+
+ 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, &
+ | ^
+note: 't1599' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29:
+
+ 1832 | *t3339
+ | ^
+Warning: 't1602' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:293:21:
+
+ 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613
+ | ^
+note: 't1602' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2373:44:
+
+ 2373 | t5451 = 0.640e2_dp*t605*t1603
+ | ^
+Warning: 't1603' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:293:28:
+
+ 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613
+ | ^
+note: 't1603' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2384:51:
+
+ 2384 | t5474 = 0.4266666668e2_dp*t339*t1608
+ | ^
+Warning: 't1608' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:293:49:
+
+ 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613
+ | ^
+note: 't1608' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2403:51:
+
+ 2403 | t5525 = 0.2133333334e2_dp*t339*t1611
+ | ^
+Warning: 't1611' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:293:69:
+
+ 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613
+ | ^
+note: 't1611' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
+
+ 1866 | *t339*t969
+ | ^
+Warning: 't1616' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:294:35:
+
+ 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, &
+ | ^
+note: 't1616' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39:
+
+ 1858 | *t321*t953*t1625
+ | ^
+Warning: 't1617' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:294:42:
+
+ 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, &
+ | ^
+note: 't1617' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2371:47:
+
+ 2371 | t5446 = 0.480e2_dp*t24*t23*t1618
+ | ^
+Warning: 't1618' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:294:49:
+
+ 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, &
+ | ^
+note: 't1618' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39:
+
+ 1858 | *t321*t953*t1625
+ | ^
+Warning: 't1621' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:294:63:
+
+ 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, &
+ | ^
+note: 't1621' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2408:44:
+
+ 2408 | t5537 = 0.160e2_dp*t112*t1622
+ | ^
+Warning: 't1622' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:294:70:
+
+ 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, &
+ | ^
+note: 't1622' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39:
+
+ 1858 | *t321*t953*t1625
+ | ^
+Warning: 't1625' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:294:84:
+
+ 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, &
+ | ^
+note: 't1625' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2405:44:
+
+ 2405 | t5531 = 0.160e2_dp*t112*t1626
+ | ^
+Warning: 't1626' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:294:91:
+
+ 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, &
+ | ^
+note: 't1626' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70:
+
+ 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631
+ | ^
+Warning: 't1631' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:295:28:
+
+ 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, &
+ | ^
+note: 't1631' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2406:44:
+
+ 2406 | t5533 = 0.160e2_dp*t112*t1632
+ | ^
+Warning: 't1632' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:295:35:
+
+ 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, &
+ | ^
+note: 't1632' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66:
+
+ 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681
+ | ^
+Warning: 't1640' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:295:69:
+
+ 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, &
+ | ^
+note: 't1640' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2387:49:
+
+ 2387 | t5482 = 0.2160000000e3_dp*t7*t1642
+ | ^
+Warning: 't1642' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:295:76:
+
+ 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, &
+ | ^
+note: 't1642' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2162:56:
+
+ 2162 | t102*t4838 - 0.20e1_dp*t102*t4850
+ | ^
+Warning: 't1645' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:295:90:
+
+ 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, &
+ | ^
+note: 't1645' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2389:54:
+
+ 2389 | t5487 = 0.2160000000e3_dp*t7*t995*t1652
+ | ^
+Warning: 't1652' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:296:27:
+
+ 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, &
+ | ^
+note: 't1652' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2390:52:
+
+ 2390 | t5489 = 0.1600000000e2_dp*t1429*t1658
+ | ^
+Warning: 't1658' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:296:48:
+
+ 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, &
+ | ^
+note: 't1658' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2396:52:
+
+ 2396 | t5507 = 0.120e2_dp*t7*t640*t1667*t371
+ | ^
+Warning: 't1667' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:296:82:
+
+ 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, &
+ | ^
+note: 't1667' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2394:44:
+
+ 2394 | t5499 = 0.120e2_dp*t550*t1669
+ | ^
+Warning: 't1669' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:296:89:
+
+ 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, &
+ | ^
+note: 't1669' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2392:49:
+
+ 2392 | t5494 = 0.6400000000e2_dp*t7*t1677
+ | ^
+Warning: 't1677' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:297:21:
+
+ 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, &
+ | ^
+note: 't1677' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2398:38:
+
+ 2398 | t5511 = t1680*t3673*t23
+ | ^
+Warning: 't1680' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:297:35:
+
+ 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, &
+ | ^
+note: 't1680' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2393:38:
+
+ 2393 | t5496 = t366*t368*t1681
+ | ^
+Warning: 't1681' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:297:42:
+
+ 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, &
+ | ^
+note: 't1681' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
+
+ 1866 | *t339*t969
+ | ^
+Warning: 't1684' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:297:49:
+
+ 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, &
+ | ^
+note: 't1684' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2420:33:
+
+ 2420 | t5565 = t112*t1685
+ | ^
+Warning: 't1685' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:297:56:
+
+ 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, &
+ | ^
+note: 't1685' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58:
+
+ 2052 | + 0.3333333334e0_dp*t165*t437*t1688
+ | ^
+Warning: 't1688' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:297:63:
+
+ 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, &
+ | ^
+note: 't1688' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71:
+
+ 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314
+ | ^
+Warning: 't1689' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:297:70:
+
+ 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, &
+ | ^
+note: 't1689' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2329:55:
+
+ 2329 | t5338 = 0.6666666672e0_dp*t55*t1694*t561
+ | ^
+Warning: 't1694' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:297:84:
+
+ 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, &
+ | ^
+note: 't1694' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71:
+
+ 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314
+ | ^
+Warning: 't1700' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:298:32:
+
+ 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, &
+ | ^
+note: 't1700' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39:
+
+ 1894 | *t165*t3865*t237
+ | ^
+Warning: 't1703' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:298:46:
+
+ 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, &
+ | ^
+note: 't1703' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42:
+
+ 2088 | *t83*t45*t3581*t140
+ | ^
+Warning: 't1706' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:298:60:
+
+ 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, &
+ | ^
+note: 't1706' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66:
+
+ 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235
+ | ^
+Warning: 't1709' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:298:74:
+
+ 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, &
+ | ^
+note: 't1709' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2600:52:
+
+ 2600 | t6033 = 0.1000000000e1_dp*t5244*t1712
+ | ^
+Warning: 't1712' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:298:87:
+
+ 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, &
+ | ^
+note: 't1712' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2568:34:
+
+ 2568 | t5964 = t1715*t1525
+ | ^
+Warning: 't1715' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:299:14:
+
+ 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, &
+ | ^
+note: 't1715' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37:
+
+ 1955 | *t58*t3796*t71
+ | ^
+Warning: 't1718' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:299:28:
+
+ 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, &
+ | ^
+note: 't1718' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2612:52:
+
+ 2612 | t6063 = 0.1000000000e1_dp*t1720*t5956
+ | ^
+Warning: 't1720' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:299:48:
+
+ 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, &
+ | ^
+note: 't1720' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2621:37:
+
+ 2621 | *t6075 - t6078
+ | ^
+Warning: 't1722' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:299:55:
+
+ 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, &
+ | ^
+note: 't1722' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2589:52:
+
+ 2589 | t6019 = 0.7407407410e-1_dp*t719*t1726
+ | ^
+Warning: 't1726' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:299:69:
+
+ 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, &
+ | ^
+note: 't1726' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2004:32:
+
+ 2004 | t4352 = t1731*t67
+ | ^
+Warning: 't1731' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:299:90:
+
+ 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, &
+ | ^
+note: 't1731' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67:
+
+ 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119
+ | ^
+Warning: 't1737' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:300:14:
+
+ 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757
+ | ^
+note: 't1737' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2555:57:
+
+ 2555 | t5929 = 0.2250000000e2_dp*t1740*t471*t4905
+ | ^
+Warning: 't1740' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:300:21:
+
+ 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757
+ | ^
+note: 't1740' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2563:52:
+
+ 2563 | t5954 = 0.8999999998e1_dp*t1741*t4909
+ | ^
+Warning: 't1741' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:300:28:
+
+ 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757
+ | ^
+note: 't1741' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64:
+
+ 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526
+ | ^
+Warning: 't1755' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:300:70:
+
+ 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757
+ | ^
+note: 't1755' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2604:52:
+
+ 2604 | t6044 = 0.2000000002e1_dp*t1763*t5956
+ | ^
+Warning: 't1763' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:301:55:
+
+ 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, &
+ | ^
+note: 't1763' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2611:40:
+
+ 2611 | t6060 = t1766*t5881*t4940
+ | ^
+Warning: 't1766' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:301:69:
+
+ 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, &
+ | ^
+note: 't1766' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70:
+
+ 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267
+ | ^
+Warning: 't1769' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:301:83:
+
+ 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, &
+ | ^
+note: 't1769' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2579:52:
+
+ 2579 | t5985 = 0.5000000001e0_dp*t1774*t4908
+ | ^
+Warning: 't1774' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:302:14:
+
+ 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, &
+ | ^
+note: 't1774' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2587:52:
+
+ 2587 | t6009 = 0.5000000001e0_dp*t1777*t4908
+ | ^
+Warning: 't1777' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:302:28:
+
+ 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, &
+ | ^
+note: 't1777' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2616:51:
+
+ 2616 | t6078 = 0.1111111112e0_dp*t719*t1782
+ | ^
+Warning: 't1782' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:302:48:
+
+ 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, &
+ | ^
+note: 't1782' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2569:34:
+
+ 2569 | t5966 = t1785*t1790
+ | ^
+Warning: 't1785' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:302:62:
+
+ 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, &
+ | ^
+note: 't1785' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66:
+
+ 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726
+ | ^
+Warning: 't1790' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:302:83:
+
+ 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, &
+ | ^
+note: 't1790' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2561:52:
+
+ 2561 | t5949 = 0.8999999998e1_dp*t1795*t4909
+ | ^
+Warning: 't1795' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:302:97:
+
+ 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, &
+ | ^
+note: 't1795' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2509:58:
+
+ 2509 | t5810 = 0.1080000000e3_dp*t1143*t1801*t1410
+ | ^
+Warning: 't1801' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:303:33:
+
+ 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, &
+ | ^
+note: 't1801' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39:
+
+ 1966 | *t478*t183*t3918
+ | ^
+Warning: 't1811' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:303:61:
+
+ 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, &
+ | ^
+note: 't1811' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29:
+
+ 1976 | *t3382
+ | ^
+Warning: 't1821' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:303:88:
+
+ 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, &
+ | ^
+note: 't1821' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2637:62:
+
+ 2637 | t6123 = 0.1666666667e0_dp*t1246*t446*t1825*t561
+ | ^
+Warning: 't1825' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:304:21:
+
+ 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, &
+ | ^
+note: 't1825' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2505:40:
+
+ 2505 | t5797 = t1373*t1962*t1829
+ | ^
+Warning: 't1829' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:304:35:
+
+ 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, &
+ | ^
+note: 't1829' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2538:37:
+
+ 2538 | t5888 = t60*t1836*t709
+ | ^
+Warning: 't1836' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:304:62:
+
+ 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, &
+ | ^
+note: 't1836' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70:
+
+ 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267
+ | ^
+Warning: 't1837' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:304:69:
+
+ 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, &
+ | ^
+note: 't1837' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67:
+
+ 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119
+ | ^
+Warning: 't1838' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:304:76:
+
+ 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, &
+ | ^
+note: 't1838' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2036:32:
+
+ 2036 | t4498 = t56*t1843
+ | ^
+Warning: 't1843' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:304:90:
+
+ 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, &
+ | ^
+note: 't1843' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2633:58:
+
+ 2633 | t6109 = 0.1666666667e0_dp*t1246*t1962*t1865
+ | ^
+Warning: 't1865' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:305:49:
+
+ 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, &
+ | ^
+note: 't1865' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60:
+
+ 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410
+ | ^
+Warning: 't1875' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:305:83:
+
+ 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, &
+ | ^
+note: 't1875' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2358:43:
+
+ 2358 | t5421 = t657*t1884*t59*t1975
+ | ^
+Warning: 't1884' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:306:14:
+
+ 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, &
+ | ^
+note: 't1884' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36:
+
+ 2710 | t5011 + t5001
+ | ^
+Warning: 't1885' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:306:21:
+
+ 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, &
+ | ^
+note: 't1885' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44:
+
+ 2043 | + (2*t147*t1284*t672)
+ | ^
+Warning: 't1886' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:306:28:
+
+ 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, &
+ | ^
+note: 't1886' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2457:58:
+
+ 2457 | t5666 = 0.1125000000e2_dp*t1302*t1892*t1410
+ | ^
+Warning: 't1892' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:306:48:
+
+ 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, &
+ | ^
+note: 't1892' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34:
+
+ 1924 | t1320*t1483
+ | ^
+Warning: 't1902' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:306:81:
+
+ 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, &
+ | ^
+note: 't1902' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34:
+
+ 1924 | t1320*t1483
+ | ^
+Warning: 't1912' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:307:14:
+
+ 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925
+ | ^
+note: 't1912' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58:
+
+ 2052 | + 0.3333333334e0_dp*t165*t437*t1688
+ | ^
+Warning: 't1924' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:307:55:
+
+ 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925
+ | ^
+note: 't1924' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2643:38:
+
+ 2643 | t6141 = t658*t575*t1925
+ | ^
+Warning: 't1925' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:307:62:
+
+ 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925
+ | ^
+note: 't1925' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2020:39:
+
+ 2020 | *t429*t1928*t290
+ | ^
+Warning: 't1928' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:308:28:
+
+ 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, &
+ | ^
+note: 't1928' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71:
+
+ 2062 | *t3507 - t3512)*t149*t160
+ | ^
+Warning: 't1932' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:308:35:
+
+ 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, &
+ | ^
+note: 't1932' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44:
+
+ 2043 | + (2*t147*t1284*t672)
+ | ^
+Warning: 't1940' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:308:62:
+
+ 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, &
+ | ^
+note: 't1940' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2633:58:
+
+ 2633 | t6109 = 0.1666666667e0_dp*t1246*t1962*t1865
+ | ^
+Warning: 't1962' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:309:34:
+
+ 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, &
+ | ^
+note: 't1962' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2622:57:
+
+ 2622 | t6087 = 0.1666666667e0_dp*t429*t1966*t1410
+ | ^
+Warning: 't1966' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:309:48:
+
+ 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, &
+ | ^
+note: 't1966' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2632:63:
+
+ 2632 | t6106 = 0.3600000000e2_dp*t1971*t1972*t1973*t672
+ | ^
+Warning: 't1971' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:309:62:
+
+ 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, &
+ | ^
+note: 't1971' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2632:63:
+
+ 2632 | t6106 = 0.3600000000e2_dp*t1971*t1972*t1973*t672
+ | ^
+Warning: 't1972' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:309:69:
+
+ 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, &
+ | ^
+note: 't1972' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54:
+
+ 2717 | + 0.4500000000e1_dp*t2009*t4744
+ | ^
+Warning: 't1973' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:309:76:
+
+ 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, &
+ | ^
+note: 't1973' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2757:70:
+
+ 2757 | + t5619 + t5622 - t5625 - t5628 + t5631 + t5716
+ | ^
+Warning: 't1974' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:309:83:
+
+ 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, &
+ | ^
+note: 't1974' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2358:43:
+
+ 2358 | t5421 = t657*t1884*t59*t1975
+ | ^
+Warning: 't1975' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:309:90:
+
+ 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, &
+ | ^
+note: 't1975' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66:
+
+ 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410
+ | ^
+Warning: 't1981' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:310:21:
+
+ 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, &
+ | ^
+note: 't1981' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2479:56:
+
+ 2479 | t5722 = 0.1111111111e0_dp*t165*t689*t1988
+ | ^
+Warning: 't1988' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:310:42:
+
+ 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, &
+ | ^
+note: 't1988' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1896:32:
+
+ 1896 | t3875 = t45*t2002
+ | ^
+Warning: 't2002' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:14:
+
+ 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
+ | ^
+note: 't2002' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54:
+
+ 2717 | + 0.4500000000e1_dp*t2009*t4744
+ | ^
+Warning: 't2009' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:28:
+
+ 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
+ | ^
+note: 't2009' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54:
+
+ 2717 | + 0.4500000000e1_dp*t2009*t4744
+ | ^
+Warning: 't2013' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:35:
+
+ 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
+ | ^
+note: 't2013' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54:
+
+ 2717 | + 0.4500000000e1_dp*t2009*t4744
+ | ^
+Warning: 't2014' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:42:
+
+ 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
+ | ^
+note: 't2014' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54:
+
+ 2717 | + 0.4500000000e1_dp*t2009*t4744
+ | ^
+Warning: 't2018' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:49:
+
+ 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
+ | ^
+note: 't2018' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38:
+
+ 2234 | + t5032 + t5035
+ | ^
+Warning: 't2022' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:56:
+
+ 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
+ | ^
+note: 't2022' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29:
+
+ 2779 | *t6271
+ | ^
+Warning: 't2027' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:63:
+
+ 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
+ | ^
+note: 't2027' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41:
+
+ 2795 | *t5228*t2117*t2028
+ | ^
+Warning: 't2028' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:70:
+
+ 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
+ | ^
+note: 't2028' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2744:46:
+
+ 2744 | *t27*t6291*t172 - t5397
+ | ^
+Warning: 't2031' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:83:
+
+ 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
+ | ^
+note: 't2031' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46:
+
+ 2811 | *t60*t2124*t709 - t6044
+ | ^
+Warning: 't2032' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:90:
+
+ 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
+ | ^
+note: 't2032' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76:
+
+ 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160)
+ | ^
+Warning: 't2035' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:311:97:
+
+ 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, &
+ | ^
+note: 't2035' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2765:63:
+
+ 2765 | *t575*t161*t1447 + t5773 + t5776 + t5780
+ | ^
+Warning: 't2042' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:14:
+
+ 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
+ | ^
+note: 't2042' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2830:73:
+
+ 2830 | t43*t46*t6339 + t8*(t6344 + t6380 + t6389 + t6665)
+ | ^
+Warning: 't2046' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:21:
+
+ 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
+ | ^
+note: 't2046' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2826:132:
+
+ 2826 | + t6442 + t6451 + t6461 + t6479 + t6490 + t6499 + t6658)
+ | ^
+Warning: 't2050' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:28:
+
+ 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
+ | ^
+note: 't2050' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40:
+
+ 2726 | *t1054*t640*t3679
+ | ^
+Warning: 't2054' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:35:
+
+ 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
+ | ^
+note: 't2054' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2722:79:
+
+ 2722 | *t327*t2057*t557 - t5456 + t5459 - t5462 + t5466 - t5468
+ | ^
+Warning: 't2057' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:42:
+
+ 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
+ | ^
+note: 't2057' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2732:78:
+
+ 2732 | - t5595 + t5597 - t5600 - t5602 + t5604 + t5607 + t5610
+ | ^
+Warning: 't2058' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:49:
+
+ 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
+ | ^
+note: 't2058' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2806:69:
+
+ 2806 | *t2061*t561 + 0.8999999998e1_dp*t178*t62*t6375
+ | ^
+Warning: 't2061' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:56:
+
+ 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
+ | ^
+note: 't2061' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2754:90:
+
+ 2754 | t5418 + 0.1800000000e2_dp*t658*t575*t2074 + 0.1800000000e2_dp*t5421
+ | ^
+Warning: 't2074' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:76:
+
+ 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
+ | ^
+note: 't2074' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76:
+
+ 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160)
+ | ^
+Warning: 't2077' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:83:
+
+ 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
+ | ^
+note: 't2077' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2769:38:
+
+ 2769 | - t6090 + t6094
+ | ^
+Warning: 't2081' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:90:
+
+ 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
+ | ^
+note: 't2081' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76:
+
+ 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160)
+ | ^
+Warning: 't2082' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:312:97:
+
+ 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, &
+ | ^
+note: 't2082' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76:
+
+ 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160)
+ | ^
+Warning: 't2088' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:313:21:
+
+ 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, &
+ | ^
+note: 't2088' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2791:82:
+
+ 2791 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257
+ | ^
+Warning: 't2095' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:313:28:
+
+ 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, &
+ | ^
+note: 't2095' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41:
+
+ 2795 | *t5228*t2117*t2028
+ | ^
+Warning: 't2098' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:313:35:
+
+ 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, &
+ | ^
+note: 't2098' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29:
+
+ 2779 | *t6271
+ | ^
+Warning: 't2099' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:313:42:
+
+ 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, &
+ | ^
+note: 't2099' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36:
+
+ 2710 | t5011 + t5001
+ | ^
+Warning: 't2821' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34:
+
+ 1924 | t1320*t1483
+ | ^
+Warning: 't2873' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29:
+
+ 2779 | *t6271
+ | ^
+Warning: 't2992' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29:
+
+ 1832 | *t3339
+ | ^
+Warning: 't773' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32:
+
+ 1765 | t12*t1058
+ | ^
+Warning: 't782' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32:
+
+ 1765 | t12*t1058
+ | ^
+Warning: 't797' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29:
+
+ 1976 | *t3382
+ | ^
+Warning: 't859' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
+
+ 1866 | *t339*t969
+ | ^
+Warning: 't930' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:398:59:
- 2695 | t760, t761, t767, t769, t77, t770, t78, t781, t783, t784, t788, t793
+ 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941
| ^
-note: 't783' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3602:43:
+note: 't930' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1844:31:
- 3602 | /0.4e1_dp*t603*t1469*t2473
- | ^
-Warning: 't784' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2695:65:
+ 1844 | t3682 = t24*t940
+ | ^
+Warning: 't940' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:398:70:
- 2695 | t760, t761, t767, t769, t77, t770, t78, t781, t783, t784, t788, t793
- | ^
-note: 't784' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3540:45:
+ 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941
+ | ^
+note: 't940' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39:
- 3540 | - (5._dp*t1726*t506*t6*t407)
- | ^
-Warning: 't788' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2695:71:
+ 1858 | *t321*t953*t1625
+ | ^
+Warning: 't941' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:398:76:
- 2695 | t760, t761, t767, t769, t77, t770, t78, t781, t783, t784, t788, t793
- | ^
-note: 't788' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3590:92:
+ 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941
+ | ^
+note: 't941' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70:
- 3590 | t2511) + 0.3e1_dp/0.2e1_dp*(t474)*(t481)*(t2515)
- | ^
-Warning: 't793' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2695:77:
+ 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631
+ | ^
+Warning: 't946' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:399:39:
- 2695 | t760, t761, t767, t769, t77, t770, t78, t781, t783, t784, t788, t793
- | ^
-note: 't793' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3590:92:
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
- 3590 | t2511) + 0.3e1_dp/0.2e1_dp*(t474)*(t481)*(t2515)
- | ^
-Warning: 't796' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2696:27:
+ 1866 | *t339*t969
+ | ^
+Warning: 't949' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:399:45:
- 2696 | REAL(KIND=dp) :: t796, t8, t80, t802, t805, t809, t81, t813, t816, t819, t82, t822, t823, &
- | ^
-note: 't796' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3590:92:
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
- 3590 | t2511) + 0.3e1_dp/0.2e1_dp*(t474)*(t481)*(t2515)
- | ^
-Warning: 't802' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2696:42:
+ 1866 | *t339*t969
+ | ^
+Warning: 't950' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:399:56:
- 2696 | REAL(KIND=dp) :: t796, t8, t80, t802, t805, t809, t81, t813, t816, t819, t82, t822, t823, &
- | ^
-note: 't802' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3590:92:
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2430:56:
- 3590 | t2511) + 0.3e1_dp/0.2e1_dp*(t474)*(t481)*(t2515)
- | ^
-Warning: 't805' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2696:48:
+ 2430 | t5593 = 0.1066666667e2_dp*t321*t953*t5087
+ | ^
+Warning: 't953' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:399:62:
- 2696 | REAL(KIND=dp) :: t796, t8, t80, t802, t805, t809, t81, t813, t816, t819, t82, t822, t823, &
- | ^
-note: 't805' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3483:44:
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70:
- 3483 | - t852*t519 + f12*t2053*t94
- | ^
-Warning: 't809' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2696:54:
+ 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631
+ | ^
+Warning: 't955' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:399:74:
- 2696 | REAL(KIND=dp) :: t796, t8, t80, t802, t805, t809, t81, t813, t816, t819, t82, t822, t823, &
- | ^
-note: 't809' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3566:107:
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29:
- 3566 | *t1139 - t243*t2336)*alpha6*t247*t249
- | ^
-Warning: 't813' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2696:65:
+ 1832 | *t3339
+ | ^
+Warning: 't959' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:399:86:
- 2696 | REAL(KIND=dp) :: t796, t8, t80, t802, t805, t809, t81, t813, t816, t819, t82, t822, t823, &
- | ^
-note: 't813' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3566:107:
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
- 3566 | *t1139 - t243*t2336)*alpha6*t247*t249
- | ^
-Warning: 't816' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2696:71:
+ 1866 | *t339*t969
+ | ^
+Warning: 't962' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:399:92:
- 2696 | REAL(KIND=dp) :: t796, t8, t80, t802, t805, t809, t81, t813, t816, t819, t82, t822, t823, &
- | ^
-note: 't816' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3620:82:
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29:
- 3620 | *t238*t1139 + t289*t2336)*alpha8*t296)
- | ^
-Warning: 't822' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2696:88:
+ 1832 | *t3339
+ | ^
+Warning: 't963' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:400:13:
- 2696 | REAL(KIND=dp) :: t796, t8, t80, t802, t805, t809, t81, t813, t816, t819, t82, t822, t823, &
- | ^
-note: 't822' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3620:82:
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70:
- 3620 | *t238*t1139 + t289*t2336)*alpha8*t296)
- | ^
-Warning: 't823' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2696:94:
+ 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631
+ | ^
+Warning: 't966' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:400:19:
- 2696 | REAL(KIND=dp) :: t796, t8, t80, t802, t805, t809, t81, t813, t816, t819, t82, t822, t823, &
- | ^
-note: 't823' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3444:53:
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
- 3444 | 0.10e2_dp*t659*t234*t127*t452*(t407)
- | ^
-Warning: 't833' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2697:24:
+ 1866 | *t339*t969
+ | ^
+Warning: 't969' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:400:25:
- 2697 | t83, t830, t833, t839, t84, t85, t852, t860, t862, t87, t875, t88, t886, t9, t90, t903, &
- | ^
-note: 't833' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3444:53:
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
- 3444 | 0.10e2_dp*t659*t234*t127*t452*(t407)
- | ^
-Warning: 't839' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2697:30:
+ 1866 | *t339*t969
+ | ^
+Warning: 't973' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:400:42:
- 2697 | t83, t830, t833, t839, t84, t85, t852, t860, t862, t87, t875, t88, t886, t9, t90, t903, &
- | ^
-note: 't839' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3483:44:
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39:
- 3483 | - t852*t519 + f12*t2053*t94
- | ^
-Warning: 't852' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2697:46:
+ 1858 | *t321*t953*t1625
+ | ^
+Warning: 't974' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:400:48:
- 2697 | t83, t830, t833, t839, t84, t85, t852, t860, t862, t87, t875, t88, t886, t9, t90, t903, &
- | ^
-note: 't852' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3540:45:
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33:
- 3540 | - (5._dp*t1726*t506*t6*t407)
- | ^
-Warning: 't860' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2697:52:
+ 1866 | *t339*t969
+ | ^
+Warning: 't976' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:400:60:
- 2697 | t83, t830, t833, t839, t84, t85, t852, t860, t862, t87, t875, t88, t886, t9, t90, t903, &
- | ^
-note: 't860' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3460:132:
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70:
- 3460 | *t407)
- | ^
-Warning: 't875' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2697:69:
+ 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631
+ | ^
+Warning: 't980' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:400:77:
- 2697 | t83, t830, t833, t839, t84, t85, t852, t860, t862, t87, t875, t88, t886, t9, t90, t903, &
- | ^
-note: 't875' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3483:44:
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29:
- 3483 | - t852*t519 + f12*t2053*t94
- | ^
-Warning: 't886' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2697:80:
+ 1832 | *t3339
+ | ^
+Warning: 't984' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:400:89:
- 2697 | t83, t830, t833, t839, t84, t85, t852, t860, t862, t87, t875, t88, t886, t9, t90, t903, &
- | ^
-note: 't886' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3444:53:
+ 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-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54:
- 3444 | 0.10e2_dp*t659*t234*t127*t452*(t407)
- | ^
-Warning: 't903' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2697:95:
+ 1842 | + 0.3200000000e2_dp*t1055*t3674
+ | ^
+Warning: 't987' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:400:95:
- 2697 | t83, t830, t833, t839, t84, t85, t852, t860, t862, t87, t875, t88, t886, t9, t90, t903, &
+ 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, &
| ^
-note: 't903' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3444:53:
+note: 't987' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54:
- 3444 | 0.10e2_dp*t659*t234*t127*t452*(t407)
- | ^
-Warning: 't917' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2698:18:
+ 1842 | + 0.3200000000e2_dp*t1055*t3674
+ | ^
+Warning: 't991' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:401:18:
- 2698 | t91, t917, t919, t92, t920, t923, t928, t93, t930, t932, t933, t936, t938, t939, t94, &
+ 401 | t99, t991, t995, t997, xx
| ^
-note: 't917' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3542:89:
-
- 3542 | t2274)*Clda)*sx
- | ^
-Warning: 't920' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2698:35:
-
- 2698 | t91, t917, t919, t92, t920, t923, t928, t93, t930, t932, t933, t936, t938, t939, t94, &
- | ^
-note: 't920' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3546:60:
-
- 3546 | t2306 = d2exerndrhondrho(Q, dQndrho, d2Qndrhondrho)
- | ^
-Warning: 'dqndrho' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2654:69:
-
- 2654 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
- | ^
-note: 'dqndrho' was declared here
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:3426:63:
+note: 't991' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:2389:54:
- 3426 | t1816 = d2exerrhondrho(Q, dQrho, dQndrho, d2Qrhondrho)
- | ^
-Warning: 'dqrho' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:2654:76:
+ 2389 | t5487 = 0.2160000000e3_dp*t7*t995*t1652
+ | ^
+Warning: 't995' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:401:24:
- 2654 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, &
- | ^
-note: 'dqrho' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_tmc.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_qs.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_qs.F input_cp2k_qs.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_kind_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_kind_types.F qs_kind_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qs.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_qs.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_p_env_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kind_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_kind_types.F90
-/build/reproducible-path/cp2k-2024.2/src/gw_communication.F:308:42:
+ 401 | t99, t991, t995, t997, xx
+ | ^
+note: 't995' was declared here
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54:
- 308 | ALLOCATE (row_block_from_index(nmo))
- | ^
-Warning: 'nmo' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/gw_communication.F:149:36:
+ 1842 | + 0.3200000000e2_dp*t1055*t3674
+ | ^
+Warning: 't997' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:401:30:
- 149 | nblkrows_total, ngroup, nmo, num_blocks, offset, row, row_from_buffer, row_offset, &
- | ^
-note: 'nmo' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_fxc_kernel.mod' due to: target does not exist
-true
+ 401 | t99, t991, t995, t997, xx
+ | ^
+note: 't997' 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="\"Tue Apr 1 03:41:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_p_env_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_xbr_pbe_lda_hole_t_c_lr.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F xc_xbr_pbe_lda_hole_t_c_lr.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xwpbe.F:1810:24:
1810 | t419 = t1*ndrho
@@ -47888,19 +47813,126 @@
1480 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1001, &
| ^
note: 'dqrho' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xbecke88_long_range.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_pbe.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_perdew86.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbr_pbe_lda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_xbr_pbe_lda_hole_t_c_lr.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_tfw.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_exchange_gga.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'semi_empirical_int_num.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_int_ana.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/semi_empirical_int_ana.F semi_empirical_int_ana.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_tb.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_se.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_fxc_kernel.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_int_debug.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_debug.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_ana.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_int_ana.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gw_communication.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_tmc.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_qs.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_nonbond_force.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xbecke88.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_debug.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_int_debug.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_int_ana.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/semi_empirical_int_ana.F semi_empirical_int_ana.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_qs.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_qs.F input_cp2k_qs.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_kind_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_kind_types.F qs_kind_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_ana.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qs.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_qs.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_p_env_types.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kind_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_kind_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xbr_pbe_lda_hole_t_c_lr.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_subsys.mod' due to: target does not exist
true
@@ -47910,60 +47942,68 @@
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_motion_print.F input_cp2k_motion_print.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_thermostats.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_thermostats.F input_cp2k_thermostats.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_motion_print.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cell_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cell_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'shg_integrals_test.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_motion_print.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cell_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_thermostats.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_thermostats.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_integrals_test.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' shg_integrals_test.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xwpbe.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_thermostats.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_thermostats.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_integrals_test.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' shg_integrals_test.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_qs.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_motion_print.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_loc.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_loc.F input_cp2k_loc.F90
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a"
+Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_poisson_methods.mod' due to: target does not exist
true
-Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a dct.o ps_implicit_types.o realspace_grid_cube.o dielectric_types.o dgs.o ps_wavelet_scaling_function.o pw_fpga.o cube_utils.o pw_poisson_types.o dg_rho0_types.o ps_wavelet_types.o pw_grid_types.o ps_wavelet_fft3d.o ps_implicit_methods.o fft_tools.o lazy.o dirichlet_bc_types.o dirichlet_bc_methods.o pw_poisson_methods.o ps_wavelet_kernel.o mt_util.o pw_grid_info.o pw_gpu.o ps_wavelet_base.o dg_types.o pw_types.o ps_wavelet_util.o cp_linked_list_pw.o realspace_grid_types.o pw_methods.o pw_pool_types.o ps_wavelet_methods.o pw_spline_utils.o rs_methods.o pw_grids.o pw_copy_all.o dielectric_methods.o
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a dielectric_types.o pw_grids.o realspace_grid_types.o cube_utils.o mt_util.o fft_tools.o pw_grid_types.o ps_implicit_types.o ps_wavelet_util.o dg_types.o cp_linked_list_pw.o dct.o pw_spline_utils.o dg_rho0_types.o dirichlet_bc_methods.o dielectric_methods.o pw_copy_all.o ps_wavelet_scaling_function.o ps_implicit_methods.o pw_poisson_types.o dgs.o pw_pool_types.o ps_wavelet_fft3d.o pw_fpga.o ps_wavelet_kernel.o lazy.o realspace_grid_cube.o ps_wavelet_methods.o rs_methods.o dirichlet_bc_types.o pw_poisson_methods.o ps_wavelet_types.o pw_grid_info.o pw_methods.o ps_wavelet_base.o pw_types.o pw_gpu.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ewald_pw_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ewald_pw_types.F ewald_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="\"Tue Apr 1 03:41:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_loc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_loc.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ewald_pw_types.F90
/build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:186: update target '/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ewald_pw_types.F90
+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="\"Tue Apr 1 03:41:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:190: update target '/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'xc_xwpbe.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_motion_print.mod' 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="\"Tue Apr 1 03:41:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'fist_nonbond_force.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_loc.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_loc.F input_cp2k_loc.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_loc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_loc.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_thermostats.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_neb.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_neb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_neb.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ewald_pw_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ewald_pw_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ewald_pw_methods.F ewald_pw_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'spme.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/spme.F spme.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ewalds.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ewalds.F ewalds.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pme.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spme.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' spme.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_neb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_neb.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cell_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 May 3 07:30:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ewalds.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ewald_spline_util.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ewald_spline_util.F ewald_spline_util.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ipi_server.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ipi_server.F 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 May 3 07:30:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_spline_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_server.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_spline_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ewald_spline_util.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_xtl.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_server.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ipi_server.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_cif.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_cif.F 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="\"Tue Apr 1 03:41:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xtl.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cif.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_cif.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_neighbor_list_control.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_neighbor_list_control.F fist_neighbor_list_control.F90
+/build/reproducible-path/cp2k-2024.2/src/semi_empirical_int_ana.F:512:93:
+
+ 512 | dscale = dscale + dzz*fni1(ig)*EXP(-ax) - dax*zz*fni1(ig)*EXP(-ax)
+ | ^
+Warning: 'dzz' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/semi_empirical_int_ana.F:359:52:
+
+ 359 | dscale, dssss, dssss_sr, dtmp, dzz, enuc_loc, pai, paj, pbi, pbj, qcorr, rij, rija, &
+ | ^
+note: 'dzz' was declared here
/build/reproducible-path/cp2k-2024.2/src/shg_integrals_test.F:261:75:
261 | lmax = MAX(MAX(lamax + lcamax, lbmax), MAX(lamax, lbmax + lcbmax))
@@ -47974,6 +48014,101 @@
212 | lbmax, lcamax, lcbmax, lmax, nab, &
| ^
note: 'lcamax' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_loc.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_control.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_neighbor_list_control.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_neb.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_as.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_as.F input_cp2k_as.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ewald_pw_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:513: update target 'ewald_pw_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_as.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ewald_pw_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'spme.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/spme.F spme.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pme.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spme.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' spme.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ewalds.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ewalds.F ewalds.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'shg_integrals_test.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ipi_server.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_xtl.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_int_ana.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pme.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_cif.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ewalds.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_as.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ewald_spline_util.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_ddapc_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_ddapc_types.F cp_ddapc_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ewald_pw_methods.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_ddapc_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_neighbor_list_control.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ewalds_multipole.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds_multipole.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ewalds_multipole.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_ddapc_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/src/pme.F:227:11:
+
+ 227 | DO
+ | ^
+Warning: 'rpot' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/pme.F:132:70:
+
+ 132 | TYPE(realspace_grid_type), POINTER :: rden, rpot
+ | ^
+note: 'rpot' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ewalds.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'spme.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ewald_methods_tb.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_methods_tb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ewald_methods_tb.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:3363:39:
3363 | t306 = 0.1e1_dp/t10/t224
@@ -50269,13 +50404,11 @@
4480 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134
| ^
Warning: 't515' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_cif.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:3126:88:
3126 | t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, t516, &
| ^
note: 't515' was declared here
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_cif.F topology_cif.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:4480:83:
4480 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134
@@ -53176,17 +53309,6 @@
3084 | t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, t2086, &
| ^
note: 't2054' was declared here
-/build/reproducible-path/cp2k-2024.2/src/semi_empirical_int_ana.F:512:93:
-
- 512 | dscale = dscale + dzz*fni1(ig)*EXP(-ax) - dax*zz*fni1(ig)*EXP(-ax)
- | ^
-Warning: 'dzz' 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 May 3 07:30:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cif.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_cif.F90
-/build/reproducible-path/cp2k-2024.2/src/semi_empirical_int_ana.F:359:52:
-
- 359 | dscale, dssss, dssss_sr, dtmp, dzz, enuc_loc, pai, paj, pbi, pbj, qcorr, rij, rija, &
- | ^
-note: 'dzz' was declared here
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:5491:79:
5491 | *t327*t2057*t557 - t5456 + t5459 - t5462 + t5466 - t5468
@@ -53922,13 +54044,11 @@
4831 | *t3507 - t3512)*t149*t160
| ^
Warning: 't833' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_xtl.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:3167:94:
3167 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, &
| ^
note: 't833' was declared here
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_xtl.F topology_xtl.F90
/build/reproducible-path/cp2k-2024.2/src/xc/xc_xbecke88_lr_adiabatic.F:4557:56:
4557 | t3497 = 0.2400000000e2_dp*t473*t852*t1483
@@ -54329,114 +54449,36 @@
3173 | t99, t991, t995, t997, xx
| ^
note: 't997' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ewald_pw_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_neighbor_list_control.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_neighbor_list_control.F fist_neighbor_list_control.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xtl.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_control.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_neighbor_list_control.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_loc.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_neb.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'shg_integrals_test.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ipi_server.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_as.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_as.F input_cp2k_as.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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="\"Sun May 3 07:30:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_as.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_as.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_int_ana.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_xtl.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_as.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_cif.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ewalds.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/src/pme.F:227:11:
-
- 227 | DO
- | ^
-Warning: 'rpot' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/pme.F:132:70:
-
- 132 | TYPE(realspace_grid_type), POINTER :: rden, rpot
- | ^
-note: 'rpot' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'spme.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ewald_methods_tb.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:33 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_methods_tb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ewald_methods_tb.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_neighbor_list_control.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ewalds_multipole.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ewalds_multipole.F ewalds_multipole.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ewald_spline_util.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pme.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_ddapc_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_ddapc_types.F cp_ddapc_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_kind_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'sap_kind_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/sap_kind_types.F sap_kind_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_types.F qs_linres_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_subsys_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_subsys_types.F qs_subsys_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'particle_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/particle_methods.F particle_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_integral_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_integral_utils.F qs_integral_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_subsys_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:33 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_ddapc_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fb_atomic_halo_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_fb_atomic_halo_types.F qs_fb_atomic_halo_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:33 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds_multipole.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Sun May 3 07:30:33 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sap_kind_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' sap_kind_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:33 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"particle_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:33 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:33 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integral_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:33 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:33 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_halo_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_atomic_halo_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'sap_kind_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/sap_kind_types.F sap_kind_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_subsys_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mixed_cdft_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mixed_cdft_types.F 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="\"Tue Apr 1 03:41:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"particle_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integral_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_halo_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_atomic_halo_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sap_kind_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' sap_kind_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'distribution_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:33 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:33 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' distribution_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_interactions.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_interactions.F qs_interactions.F90
/build/reproducible-path/cp2k-2024.2/src/ewald_methods_tb.F:406:58:
406 | pfr = -dfr*mcharge(iatom)*mcharge(jatom)
@@ -54447,6 +54489,29 @@
377 | REAL(KIND=dp) :: dfr, dr, fr, pfr, rij(3)
| ^
note: 'dfr' 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="\"Tue Apr 1 03:41:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_interactions.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_interactions.F90
+/build/reproducible-path/cp2k-2024.2/src/qs_linres_types.F:1018:35:
+
+ 1018 | SUBROUTINE deallocate_jrho_coeff(jrho1_atom_set, iatom)
+ | ^
+Warning: 'deallocate_jrho_coeff' defined but not used [-Wunused-function]
+/build/reproducible-path/cp2k-2024.2/src/qs_linres_types.F:1057:27:
+
+ 1057 | 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-2024.2/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, &
+ | ^
+Warning: 'ch_i' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/ewalds_multipole.F:554:40:
+
+ 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-2024.2/Makefile:513: update target 'atomic_charges.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atomic_charges.F atomic_charges.F90
/build/reproducible-path/cp2k-2024.2/src/qs_fb_atomic_halo_types.F:166:38:
166 | SUBROUTINE fb_atomic_halo_associate(a, b)
@@ -54462,29 +54527,12 @@
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]
-/build/reproducible-path/cp2k-2024.2/src/qs_linres_types.F:1018:35:
-
- 1018 | SUBROUTINE deallocate_jrho_coeff(jrho1_atom_set, iatom)
- | ^
-Warning: 'deallocate_jrho_coeff' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/src/qs_linres_types.F:1057:27:
-
- 1057 | 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-2024.2/Makefile:560: update target 'pme.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atomic_charges.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:34 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atomic_charges.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atomic_charges.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_interactions.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atomic_charges.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atomic_charges.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'core_ppl.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:34 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_interactions.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_interactions.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molden_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:34 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppl.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' core_ppl.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ewald_methods_tb.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppl.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' core_ppl.F90
/build/reproducible-path/cp2k-2024.2/src/sap_kind_types.F:616:91:
616 | sab(1:na, first_col:first_col + nprjc - 1) = ai_work(1:na, 1:nprjc, i)
@@ -54495,15 +54543,22 @@
300 | maxppnl, maxsgf, na, nb, ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, &
| ^
note: 'nprjc' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_expns3_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/semi_empirical_expns3_methods.F semi_empirical_expns3_methods.F90
/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:34 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molden_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' molden_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'auto_basis.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:34 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"auto_basis.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_expns3_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'core_ae.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"auto_basis.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ae.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' core_ae.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dftb_parameters.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dftb_parameters.F qs_dftb_parameters.F90
/build/reproducible-path/cp2k-2024.2/src/auto_basis.F:573:29:
573 | SUBROUTINE overlap_maximum(lm, npgf, nfun, zet, gcc, nfit, afit, amet, eval)
@@ -54519,76 +54574,71 @@
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-2024.2/Makefile:513: update target 'core_ae.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:34 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ae.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' core_ae.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'semi_empirical_expns3_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:35 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_expns3_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dftb_parameters.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dftb_parameters.F qs_dftb_parameters.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molden_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/molden_utils.F molden_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_subsys_types.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_parameters.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dftb_parameters.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'particle_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="\"Tue Apr 1 03:41:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molden_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' molden_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_integral_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_atomic_halo_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ks_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ks_types.F 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="\"Tue Apr 1 03:41:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ks_types.F90
/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:35 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_parameters.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dftb_parameters.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'particle_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_integral_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/src/ewalds_multipole.F:554:34:
+/build/reproducible-path/cp2k-2024.2/src/ewalds_multipole.F:378:40:
- 554 | REAL(KIND=dp) :: alpha, ch_i, ch_j, ef0_i, ef0_j, eloc, fac, fac_ij, ir, irab2, ptens11, &
- | ^
+ 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-2024.2/src/ewalds_multipole.F:554:40:
+/build/reproducible-path/cp2k-2024.2/src/ewalds_multipole.F:378:46:
- 554 | REAL(KIND=dp) :: alpha, ch_i, ch_j, ef0_i, ef0_j, eloc, fac, fac_ij, ir, irab2, ptens11, &
- | ^
+ 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-2024.2/Makefile:560: update target 'qs_subsys_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_atomic_halo_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_ddapc_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pwdft_environment_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:35 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pwdft_environment_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mixed_cdft_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ewald_methods_tb.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_interactions.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atomic_charges.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_interactions.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'molden_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_expns3_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'auto_basis.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'commutator_rkinetic.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:35 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rkinetic.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' commutator_rkinetic.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fb_atomic_matrix_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_fb_atomic_matrix_methods.F qs_fb_atomic_matrix_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_expns3_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'negf_atom_map.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/negf_atom_map.F negf_atom_map.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:35 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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 May 3 07:30:36 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_atom_map.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_atom_map.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rkinetic.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' commutator_rkinetic.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_atomic_matrix_methods.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'negf_vectors.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:36 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_vectors.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_vectors.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'negf_atom_map.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/negf_atom_map.F negf_atom_map.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_vectors.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_vectors.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'glbopt_mincrawl.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/swarm/glbopt_mincrawl.F 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="\"Tue Apr 1 03:41:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_atom_map.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_atom_map.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_mincrawl.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' glbopt_mincrawl.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pwdft_environment_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pwdft_environment_types.F pwdft_environment_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_types.F 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="\"Tue Apr 1 03:41:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pwdft_environment_types.F90
/build/reproducible-path/cp2k-2024.2/src/distribution_methods.F:271:48:
271 | bin_price = workload_fill(ipe)
@@ -54599,26 +54649,27 @@
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-2024.2/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="\"Sun May 3 07:30:36 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_mincrawl.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' glbopt_mincrawl.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_types.F hfx_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ks_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ks_types.F 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="\"Sun May 3 07:30:36 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:36 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ks_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fb_env_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:36 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_env_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pwdft_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="\"Tue Apr 1 03:41:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_types.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_env_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'sap_kind_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mixed_environment_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mixed_environment_types.F mixed_environment_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_dbcsr_cp2k_link.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mixed_environment_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mulliken.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:36 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:36 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mulliken.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mulliken.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'task_list_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cp2k_link.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mulliken.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mulliken.F90
/build/reproducible-path/cp2k-2024.2/src/qs_fb_env_types.F:97:27:
97 | SUBROUTINE fb_env_retain(fb_env)
@@ -54634,135 +54685,91 @@
207 | SUBROUTINE fb_env_init(fb_env)
| ^
Warning: 'fb_env_init' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'commutator_rkinetic.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_atomic_matrix_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_atom_map.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_vectors.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'negf_matrix_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/negf_matrix_utils.F 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="\"Sun May 3 07:30:37 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_matrix_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_matrix_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'sap_kind_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_env_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'distribution_methods.mod' due to: target does not exist
-true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_oce_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' task_list_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'commutator_rpnl.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:37 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rpnl.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' commutator_rpnl.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/ewalds_multipole.F:378:46:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rpnl.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' commutator_rpnl.F90
+/build/reproducible-path/cp2k-2024.2/src/cp_dbcsr_cp2k_link.F:485:13:
- 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-2024.2/Makefile:513: update target 'qs_oce_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:37 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_oce_methods.F90
+ 485 | IF (jatom /= last_jatom) THEN
+ | ^
+Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'core_ppnl.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:37 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppnl.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' core_ppnl.F90
+/build/reproducible-path/cp2k-2024.2/src/cp_dbcsr_cp2k_link.F:455:83:
+
+ 455 | irow, jatom, last_jatom, nadd
+ | ^
+note: 'last_jatom' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dftb_parameters.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppnl.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' core_ppnl.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'molden_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'commutator_rkinetic.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'qs_fb_filter_matrix_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_fb_filter_matrix_methods.F qs_fb_filter_matrix_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:37 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_filter_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_filter_matrix_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dftb_parameters.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_atomic_matrix_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_atom_map.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_vectors.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'negf_matrix_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/negf_matrix_utils.F negf_matrix_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'glbopt_mincrawl.mod' due to: target does not exist
true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_matrix_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_matrix_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pwdft_environment_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_env_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_oce_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_oce_types.F 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="\"Sun May 3 07:30:37 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_oce_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ks_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_scf_types.F qs_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 May 3 07:30:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_scf_types.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'mixed_environment_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_dbcsr_cp2k_link.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cp2k_link.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_dbcsr_cp2k_link.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mulliken.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'task_list_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' task_list_methods.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_oce_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_xbecke88_lr_adiabatic.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_matrix_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_oce_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'admm_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:39 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' admm_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_derivatives.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:39 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivatives.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_derivatives.F90
-/build/reproducible-path/cp2k-2024.2/src/cp_dbcsr_cp2k_link.F:485:13:
-
- 485 | IF (jatom /= last_jatom) THEN
- | ^
-Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/cp_dbcsr_cp2k_link.F:455:83:
-
- 455 | irow, jatom, last_jatom, nadd
- | ^
-note: 'last_jatom' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_lanczos.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_scf_lanczos.F qs_scf_lanczos.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_filter_matrix_methods.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'distribution_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_env_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xas_env_types.F 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 May 3 07:30:39 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_lanczos.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Sun May 3 07:30:39 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_env_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_dbcsr_cp2k_link.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_oce_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_derivatives.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mulliken.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kpoint_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/kpoint_methods.F kpoint_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kg_tnadd_mat.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_tnadd_mat.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kg_tnadd_mat.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_write_output.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_write_output.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xc_write_output.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_overlap.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_overlap.F qs_overlap.F90
/build/reproducible-path/cp2k-2024.2/src/task_list_methods.F:2156:38:
2156 | tasks(indices(1))%pair_index = 1
| ^
Warning: 'MEM <integer(kind=4)[0:]> [(integer(kind=4)[0:] *)_220][0]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_env_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'admm_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kpoint_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_overlap.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_overlap.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ewalds_multipole.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_global.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_global.F 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="\"Tue Apr 1 03:41:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kpoint_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kg_tnadd_mat.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_tnadd_mat.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kg_tnadd_mat.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'fist_pol_scf.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_pol_scf.F fist_pol_scf.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fb_filter_matrix_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_fb_filter_matrix_methods.F qs_fb_filter_matrix_methods.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_pol_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_pol_scf.F90
/build/reproducible-path/cp2k-2024.2/src/core_ppnl.F:623:119:
623 | MATMUL(blkint(1:nb, 1:np, 1), TRANSPOSE(acint(1:na, 1:np, 1)))
@@ -54943,52 +54950,12 @@
141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, &
| ^
note: 'alkint.dim[2].lbound' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ewalds_multipole.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_overlap.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_overlap.F qs_overlap.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_global.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_overlap.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_overlap.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'xc.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc.F xc.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_output.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_output.F 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 May 3 07:30:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_output.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_output.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'admm_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/admm_utils.F admm_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_mo_occupation.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:30:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' admm_utils.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_occupation.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_mo_occupation.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_lanczos.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kg_tnadd_mat.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'core_ae.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_write_output.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_global.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_pol_scf.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_pol_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_pol_scf.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'core_ppl.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="\"Tue Apr 1 03:41:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_filter_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_filter_matrix_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_global.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_global.F 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="\"Tue Apr 1 03:41:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_global.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_global.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_matrix_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cell_opt_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' cell_opt_utils.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/task_list_methods.F:401:46:
401 | task_list%npairs(igrid_level) = ipair
@@ -54999,26 +54966,13 @@
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-2024.2/src/qs_mo_occupation.F:155:26:
-
- 155 | homo_a = lfomo_a - 1
- | ^
-Warning: 'lfomo_a' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_mo_occupation.F:67:67:
-
- 67 | lfomo_a, lfomo_b, nmo_a, nmo_b, &
- | ^
-note: 'lfomo_a' declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_mo_occupation.F:162:26:
-
- 162 | homo_b = lfomo_b - 1
- | ^
-Warning: 'lfomo_b' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_mo_occupation.F:67:76:
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_scf_types.F qs_scf_types.F90
+/build/reproducible-path/cp2k-2024.2/src/qs_fb_filter_matrix_methods.F:1432:39:
- 67 | lfomo_a, lfomo_b, nmo_a, nmo_b, &
- | ^
-note: 'lfomo_b' declared here
+ 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-2024.2/src/qs_overlap.F:270:10:
270 | IF (dokp) THEN
@@ -55039,12 +54993,8 @@
195 | trans, use_cell_mapping, use_virial
| ^
note: 'use_cell_mapping' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'admm_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_mo_occupation.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_oce_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_mo_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_mo_methods.F qs_mo_methods.F90
/build/reproducible-path/cp2k-2024.2/src/qs_overlap.F:868:50:
868 | !$OMP REDUCTION (+ : virial_thread, force_thread )
@@ -55065,23 +55015,65 @@
803 | use_cell_mapping, use_virial
| ^
note: 'use_cell_mapping' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_mo_io.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_mo_io.F qs_mo_io.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'task_list_methods.mod' due to: target does not exist
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_scf_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_derivatives.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_derivatives.F xc_derivatives.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_oce_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cell_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="\"Tue Apr 1 03:41:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivatives.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc_derivatives.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'core_ae.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_mo_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_mo_io.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_output.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kg_tnadd_mat.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_pol_scf.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_global.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'admm_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/admm_types.F admm_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'task_list_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="\"Tue Apr 1 03:41:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' admm_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_overlap.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cell_opt_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/cell_opt_utils.F cell_opt_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_types.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' cell_opt_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_kinetic.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_kinetic.F qs_kinetic.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_pol_scf.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'xas_env_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xas_env_types.F 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="\"Tue Apr 1 03:41:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kinetic.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_kinetic.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'core_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="\"Tue Apr 1 03:41:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_env_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_lanczos.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_scf_lanczos.F qs_scf_lanczos.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_filter_matrix_methods.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_lanczos.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_scf_lanczos.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_derivatives.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc.F xc.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_output.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_output.F 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="\"Tue Apr 1 03:41:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/xc/' xc.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_write_output.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_output.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_output.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cell_opt_utils.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_write_output.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xc_write_output.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_env_types.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kinetic.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_kinetic.F90
/build/reproducible-path/cp2k-2024.2/src/kpoint_methods.F:392:26:
392 | nkp_grp = npe/ngr
@@ -55112,6 +55104,74 @@
301 | INTEGER :: handle, igr, ik, ikk, ngr, niogrp, nkp, &
| ^
note: 'ngr' declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'admm_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_mo_occupation.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_mo_occupation.F qs_mo_occupation.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'admm_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/admm_utils.F 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="\"Tue Apr 1 03:41:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_occupation.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_mo_occupation.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_write_output.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/src/qs_kinetic.F:244:10:
+
+ 244 | IF (dokp) THEN
+ | ^
+Warning: 'dokp' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_kinetic.F:175:89:
+
+ 175 | LOGICAL :: do_forces, do_symmetric, dokp, found, &
+ | ^
+note: 'dokp' was declared here
+/build/reproducible-path/cp2k-2024.2/src/qs_kinetic.F:282:46:
+
+ 282 | !$OMP REDUCTION (+ : pv_thread, force_thread )
+ | ^
+Warning: 'use_cell_mapping' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_kinetic.F:176:83:
+
+ 176 | 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="\"Tue Apr 1 03:41:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' admm_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_kinetic.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kpoint_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'admm_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_output.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/src/qs_mo_occupation.F:155:26:
+
+ 155 | homo_a = lfomo_a - 1
+ | ^
+Warning: 'lfomo_a' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_mo_occupation.F:67:67:
+
+ 67 | lfomo_a, lfomo_b, nmo_a, nmo_b, &
+ | ^
+note: 'lfomo_a' declared here
+/build/reproducible-path/cp2k-2024.2/src/qs_mo_occupation.F:162:26:
+
+ 162 | homo_b = lfomo_b - 1
+ | ^
+Warning: 'lfomo_b' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_mo_occupation.F:67:76:
+
+ 67 | lfomo_a, lfomo_b, nmo_a, nmo_b, &
+ | ^
+note: 'lfomo_b' declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_lanczos.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_mo_occupation.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_mo_io.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_mo_io.F qs_mo_io.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_mo_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_mo_io.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_mo_methods.F90
/build/reproducible-path/cp2k-2024.2/src/qs_mo_io.F:1224:61:
1224 | cmatrix(icgf, 1), ncgf)
@@ -55142,7 +55202,7 @@
1034 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: cmatrix, smatrix
| ^
note: 'cmatrix.dim[1].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kpoint_methods.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_mo_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/qs_mo_io.F:881:31:
@@ -55249,38 +55309,6 @@
689 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: vecbuffer, vecbuffer_read
| ^
note: 'vecbuffer_read.dim[1].ubound' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_mo_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/src/qs_kinetic.F:244:10:
-
- 244 | IF (dokp) THEN
- | ^
-Warning: 'dokp' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_kinetic.F:175:89:
-
- 175 | LOGICAL :: do_forces, do_symmetric, dokp, found, &
- | ^
-note: 'dokp' was declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_kinetic.F:282:46:
-
- 282 | !$OMP REDUCTION (+ : pv_thread, force_thread )
- | ^
-Warning: 'use_cell_mapping' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_kinetic.F:176:83:
-
- 176 | trans, use_cell_mapping, use_virial
- | ^
-note: 'use_cell_mapping' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_kinetic.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_mo_io.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kpoint_io.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/kpoint_io.F kpoint_io.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_wfn_mix.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_scf_wfn_mix.F qs_scf_wfn_mix.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kpoint_io.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:30:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_wfn_mix.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_scf_wfn_mix.F90
/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:1941:69:
1941 | !$ hash = MOD((iatom - 1)*natom + jatom, nlock) + 1
@@ -55291,8 +55319,14 @@
1798 | natom, nb, nkind, np, order, slot
| ^
note: 'natom' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kpoint_io.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_mo_io.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kpoint_io.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/kpoint_io.F kpoint_io.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_wfn_mix.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_scf_wfn_mix.F qs_scf_wfn_mix.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kpoint_io.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_wfn_mix.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_scf_wfn_mix.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_wfn_mix.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/core_ppnl.F:458:111:
@@ -55305,24 +55339,24 @@
118 | maxsgf, na, natom, nb, ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, nseta, &
| ^
note: 'nprjc' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kpoint_io.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ec_env_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ec_env_types.F ec_env_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_compression_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_compression_methods.F hfx_compression_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ec_env_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ec_env_types.F ec_env_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_libint_interface.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_compression_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:30:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_compression_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_libint_interface.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_compression_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_store_int_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_store_int_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_store_int_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ec_env_types.mod' due to: target does not exist
-true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_store_int_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_store_int_types.F90
/build/reproducible-path/cp2k-2024.2/src/hfx_libint_interface.F:259:37:
259 | factor = factor*S1234*SQRT(tmp)
@@ -55333,16 +55367,18 @@
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-2024.2/Makefile:560: update target 'ec_env_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_store_int_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'semi_empirical_integrals.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:48 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' semi_empirical_integrals.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'semi_empirical_integrals.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'se_fock_matrix_integrals.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' se_fock_matrix_integrals.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' se_fock_matrix_integrals.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'core_ppnl.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/se_fock_matrix_integrals.F:1068:27:
@@ -55363,7 +55399,7 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'eri_mme_error_control.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_error_control.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_error_control.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/eri_mme/' eri_mme_error_control.F90
/build/reproducible-path/cp2k-2024.2/src/eri_mme/eri_mme_error_control.F:356:40:
356 | zet_c = zet_b - gr*(zet_b - zet_a)
@@ -55388,12 +55424,12 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'eri_mme_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:59 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/eri_mme/' eri_mme_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'eri_mme_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'eri_mme_integrate.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:30:59 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_integrate.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/eri_mme/' eri_mme_integrate.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_integrate.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/eri_mme/' eri_mme_integrate.F90
/build/reproducible-path/cp2k-2024.2/src/eri_mme/eri_mme_integrate.F:718:39:
718 | /vol*mone_lb
@@ -55414,24 +55450,16 @@
332 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: S_G_0
| ^
note: 's_g_0.dim[1].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_atom.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_atom.F xc_atom.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_vxc.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_vxc.F qs_vxc.F90
/build/reproducible-path/cp2k-2024.2/src/eri_mme/eri_mme_integrate.F:93:63:
93 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: S_G
| ^
Warning: 's_g.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 May 3 07:31:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_atom.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_vxc.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'eri_mme_integrate.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'eri_mme_test.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:01 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_test.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/eri_mme/' 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="\"Tue Apr 1 03:41:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_test.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/eri_mme/' eri_mme_test.F90
/build/reproducible-path/cp2k-2024.2/src/eri_mme/eri_mme_test.F:77:73:
77 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: I_diff, I_ref, I_test
@@ -55440,28 +55468,16 @@
/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/eri_mme/eri_mme_test.F:77:73: Warning: 'i_ref.dim[3].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_vxc.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'eri_mme_test.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a"
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a eri_mme_types.o eri_mme_test.o eri_mme_lattice_summation.o eri_mme_integrate.o eri_mme_error_control.o eri_mme_util.o eri_mme_gaussian.o
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a eri_mme_error_control.o eri_mme_test.o eri_mme_types.o eri_mme_integrate.o eri_mme_gaussian.o eri_mme_lattice_summation.o eri_mme_util.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_eri_mme_interface.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_eri_mme_interface.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_atom.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a' due to: target does not exist
-echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a"
-Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a xc_atom.o xc_perdew86.o xc_libxc_wrap.o xc_derivatives.o xc_rho_cflags_types.o xc.o xc_xbr_pbe_lda_hole_t_c_lr.o xc_rho_set_types.o xc_pbe.o xc_lyp.o xc_optx.o xc_xlda_hole_t_c_lr.o xc_xwpbe.o xc_xbeef.o xc_xbecke88_lr_adiabatic.o xc_xbecke88_long_range.o xc_derivative_types.o xc_libxc.o xc_derivative_desc.o xc_b97.o xc_tfw.o xc_vwn.o xc_xpbe_hole_t_c_lr.o xc_lyp_adiabatic.o xc_perdew_wang.o xc_util.o xc_b97_fxc.o xc_thomas_fermi.o xc_hcth.o xc_input_constants.o xc_tpss.o xc_exchange_gga.o xc_perdew_zunger.o xc_xbecke88.o xc_ke_gga.o xc_xalpha.o xc_xbecke_roussel.o xc_derivative_set_types.o cp_linked_list_xc_deriv.o xc_pade.o xc_functionals_utilities.o xc_fxc_kernel.o xc_cs1.o
-ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_xc.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:03 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_xc.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_eri_mme_interface.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_eri_mme_interface.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_types_low.o' due to: target does not exist
@@ -55472,10 +55488,10 @@
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_mp2.F input_cp2k_mp2.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_qmmm.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:03 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types_low.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:03 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:03 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mp2.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:03 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qmmm.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_qmmm.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types_low.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mp2.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qmmm.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_qmmm.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_types_low.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_environment_types.o' due to: target does not exist
@@ -55488,43 +55504,46 @@
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_topology_util.F qmmm_topology_util.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_links_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_links_methods.F qmmm_links_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_elpot.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_elpot.F 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="\"Tue Apr 1 03:41:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_environment_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_pw_grid.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_all.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_topology_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_links_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_links_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_per_elpot.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_topology_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_links_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_all.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_elpot.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_per_elpot.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_pw_grid.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_per_elpot.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_per_elpot.F90
/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'qmmm_pw_grid.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_pw_grid.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_pw_grid.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_elpot.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_elpot.F 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="\"Tue Apr 1 03:41:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_elpot.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_elpot.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_qmmm.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_links_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_topology_util.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_mp2.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_elpot.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_links_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_environment_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_environment_types.F qs_environment_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_topology_util.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_pair_list_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_pair_list_methods.F hfx_pair_list_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_setup.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pair_list_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_pair_list_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_xc.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_xc.F input_cp2k_xc.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_setup.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_setup.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_ri_grad_util.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mp2_ri_grad_util.F mp2_ri_grad_util.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_xc.F90
/build/reproducible-path/cp2k-2024.2/src/qmmm_per_elpot.F:184:54:
184 | LG(idim) = fs*LG(idim)*1.0_dp/Vol
@@ -55535,23 +55554,30 @@
98 | REAL(KIND=dp) :: Ak, alpha, box(3), Fac(3), fs, g, g2, &
| ^
note: 'fs' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_mp2.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_xc.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_xc.F input_cp2k_xc.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pair_list_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_setup.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_ri_grad_util.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_xc.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_environment_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_environment_types.F 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="\"Tue Apr 1 03:41:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_ri_grad_util.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_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="\"Tue Apr 1 03:41:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_environment_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_pw_grid.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_per_elpot.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_elpot.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_setup.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/src/hfx_pair_list_methods.F:297:46:
+
+ 297 | factor = factor*S1234*SQRT(tmp)
+ | ^
+Warning: 'factor' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_pair_list_methods.F:83:50:
+
+ 83 | REAL(dp) :: C11(3), den, Eta, EtaInv, factor, Fm(prim_data_f_size), G(3), num, omega2, &
+ | ^
+note: 'factor' was declared here
/build/reproducible-path/cp2k-2024.2/src/force_fields_all.F:2658:56:
2658 | epsilon0 = SQRT(ABS(epsilon_a*epsilon_b))
@@ -55592,42 +55618,27 @@
2557 | ewald_rcut, rmin, rmin2_a, rmin2_b
| ^
note: 'rmin2_b' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_pair_list_methods.F:297:46:
-
- 297 | factor = factor*S1234*SQRT(tmp)
- | ^
-Warning: 'factor' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_pair_list_methods.F:83:50:
-
- 83 | REAL(dp) :: C11(3), den, Eta, EtaInv, factor, Fm(prim_data_f_size), G(3), num, omega2, &
- | ^
-note: 'factor' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_xc.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_electronic_structure.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_electronic_structure.F atom_electronic_structure.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_pair_list_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 May 3 07:31:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_electronic_structure.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_electronic_structure.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_load_balance_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_load_balance_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_load_balance_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_util.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_xc.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_generate_util.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_generate_util.F topology_generate_util.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_coordinate_util.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_coordinate_util.F topology_coordinate_util.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_ec.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_ec.F input_cp2k_ec.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_atom.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_atom.F input_cp2k_atom.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_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 May 3 07:31:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_load_balance_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_load_balance_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_coordinate_util.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ec.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_ec.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_generate_util.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_generate_util.F 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 May 3 07:31:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atom.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:07 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_coordinate_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:07 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_generate_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_generate_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_coordinate_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ec.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atom.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_atom.F90
/build/reproducible-path/cp2k-2024.2/src/topology_generate_util.F:1896:59:
1896 | atm_symbol = id2str(atom_info%id_element(i))
@@ -55638,33 +55649,13 @@
629 | upper_sym_1 = id2str(atom_info%id_element(iatom))
| 1
Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_atom.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/atom_electronic_structure.F:454:66:
-
- 454 | need_x, need_xc
- | ^
-note: 'need_x' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/atom_electronic_structure.F:454:75:
-
- 454 | need_x, need_xc
- | ^
-note: 'need_xc' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_ec.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_print_dft.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_print_dft.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:41:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_print_dft.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_print_dft.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_atom.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/topology_generate_util.F:1655:34:
1655 | ind = wrk(i)%array1(j)
@@ -55725,19 +55716,6 @@
1082 | INTEGER :: do_action, do_it, i, j, k, n_rep, &
| ^
note: 'do_it' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_ri_grad_util.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_ri_gpw.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mp2_ri_gpw.F mp2_ri_gpw.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_communication.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rpa_communication.F rpa_communication.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'force_fields_all.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'force_fields_util.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/force_fields_util.F force_fields_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 May 3 07:31:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_communication.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_gpw.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Sun May 3 07:31:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' force_fields_util.F90
/build/reproducible-path/cp2k-2024.2/src/hfx_get_pmax_val.fypp:230:54:
230 | pmax_val = MAX(pmax_1 + pmax_2, pmax_3 + pmax_4)
@@ -55908,15 +55886,11 @@
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-2024.2/Makefile:560: update target 'qs_environment_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'force_fields_all.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_types.F qmmm_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'moments_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/moments_utils.F moments_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dftb3_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dftb3_methods.F qs_dftb3_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:09 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"moments_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' moments_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'force_fields_util.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/force_fields_util.F force_fields_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="\"Tue Apr 1 03:41:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' force_fields_util.F90
/build/reproducible-path/cp2k-2024.2/src/hfx_load_balance_methods.F:1542:58:
1542 | bin_histogram(my_process_id + 1, 1) = my_bin_size
@@ -55927,28 +55901,22 @@
1491 | INTEGER :: data_from, dest, end_idx, handle, i, ibin, icpu, iprocess, j, mepos, my_bin_size, &
| ^
note: 'my_bin_size' was declared here
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:09 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb3_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:09 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_types.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/atom_electronic_structure.F:137:66:
-
- 137 | need_x, need_xc, need_zmp
- | ^
-note: 'need_x' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/atom_electronic_structure.F:137:75:
-
- 137 | need_x, need_xc, need_zmp
- | ^
-note: 'need_xc' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_ri_grad_util.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_ri_gpw.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mp2_ri_gpw.F mp2_ri_gpw.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_communication.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rpa_communication.F 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="\"Tue Apr 1 03:41:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_communication.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_gpw.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_ri_gpw.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_atom.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc/xc_atom.F xc_atom.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_vxc.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_atom.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_vxc.F90
/build/reproducible-path/cp2k-2024.2/src/topology_generate_util.F:763:35:
763 | rbond2 = rbond*rbond
@@ -55959,17 +55927,18 @@
578 | ksign, my_maxrad, r2, r2_min, rbond, &
| ^
note: 'rbond' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_tb_coulomb.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:09 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_tb_coulomb.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_dbcsr_output.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_dbcsr_output.F cp_dbcsr_output.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_neighbor_lists.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:09 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_output.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_neighbor_lists.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ks_qmmm_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ks_qmmm_methods.F qs_ks_qmmm_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_environment_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_types.F qmmm_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dkh_main.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dkh_main.F 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="\"Tue Apr 1 03:41:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_coordinate_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="\"Tue Apr 1 03:41:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dkh_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' dkh_main.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'almo_scf_env_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/almo_scf_env_methods.F almo_scf_env_methods.F90
/build/reproducible-path/cp2k-2024.2/src/topology_generate_util.F:497:101:
497 | atom_info%map_mol_typ(ilast + 1), atom_info%map_mol_num(ilast + 1))
@@ -55980,78 +55949,15 @@
191 | ilast, inum, istart, itype, iw, j, jump1, jump2, last, max_mol_num, mol_num, mol_res, &
| ^
note: 'ilast' declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'se_core_core.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ks_qmmm_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_core.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' se_core_core.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'voronoi_interface.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/voronoi_interface.F voronoi_interface.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_operators_ao.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"voronoi_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_operators_ao.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_operators_ao.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_electronic_structure.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dkh_main.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dkh_main.F dkh_main.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'surface_dipole.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"surface_dipole.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Sun May 3 07:31:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dkh_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' dkh_main.F90
-/build/reproducible-path/cp2k-2024.2/src/cp_dbcsr_output.F:238:10:
-
- 238 | IF (print_sym) THEN
- | ^
-Warning: 'print_sym' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/cp_dbcsr_output.F:175:86:
-
- 175 | LOGICAL :: my_omit_headers, print_sym
- | ^
-note: 'print_sym' was declared here
-/build/reproducible-path/cp2k-2024.2/src/se_core_core.F:208:53:
-
- 208 | dr3inv = -3.0_dp*rij*r3inv*r2inv
- | ^
-Warning: 'r2inv' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/se_core_core.F:91:75:
-
- 91 | enuclear, r2inv, r3inv, rinv
- | ^
-note: 'r2inv' was declared here
-/build/reproducible-path/cp2k-2024.2/src/se_core_core.F:208:53:
-
- 208 | dr3inv = -3.0_dp*rij*r3inv*r2inv
- | ^
-Warning: 'r3inv' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/se_core_core.F:91:82:
-
- 91 | enuclear, r2inv, r3inv, rinv
- | ^
-note: 'r3inv' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'preconditioner.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/preconditioner.F preconditioner.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_integrate_potential_product.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' preconditioner.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_integrate_potential_single.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential_single.F 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 May 3 07:31:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_product.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_single.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_integrate_potential_single.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_collocate_density.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_collocate_density.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_collocate_density.F90
-/build/reproducible-path/cp2k-2024.2/src/voronoi_interface.F:70:24:
-
- 70 | INTEGER :: step_count = 0
- | 1
-Warning: Unused PRIVATE module variable 'step_count' declared at (1) [-Wunused-value]
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_env_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' almo_scf_env_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dispersion_pairpot.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dispersion_pairpot.F qs_dispersion_pairpot.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_environment_init.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/lri_environment_init.F lri_environment_init.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_sccs.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_pairpot.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dispersion_pairpot.F90
/build/reproducible-path/cp2k-2024.2/src/dkh_main.F:101:37:
101 | SUBROUTINE DKH_full_transformation(qs_env, matrix_s, matrix_v, matrix_t, matrix_pVp, n, dkh_order)
@@ -56062,66 +55968,18 @@
713 | SUBROUTINE even4a(n, ev4, e1, pe1p, vv, gg)
| ^
Warning: 'even4a' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/src/qs_neighbor_lists.F:1167:53:
-
- 1167 | CPABORT("")
- | ^
-Warning: 'otype' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_neighbor_lists.F:1043:57:
-
- 1043 | kcell, maxat, mol_a, mol_b, nkind, otype, natom, inode, nnode, nentry
- | ^
-note: 'otype' was declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_neighbor_lists.F:1335:43:
-
- 1335 | IF (mol_a /= mol_b) CYCLE
- | ^
-Warning: 'mol_b' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_neighbor_lists.F:1043:43:
-
- 1043 | kcell, maxat, mol_a, mol_b, nkind, otype, natom, inode, nnode, nentry
- | ^
-note: 'mol_b' was declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F:1508:13:
-
- 1508 | IF (jatom /= last_jatom) THEN
- | ^
-Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F:1362:38:
-
- 1362 | jkind, jpgf, jset, last_jatom, lda_min, ldab, ldb_min, ldsa, ldsb, ldwork, M_dim, maxl, &
- | ^
-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 May 3 07:31:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_sccs.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_sccs.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hartree_local_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hartree_local_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_screening_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_screening_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_screening_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_communication.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_communication.F hfx_communication.F90
-/build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F:1221:13:
-
- 1221 | IF (jatom /= last_jatom) THEN
- | ^
-Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F:1095:19:
-
- 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 May 3 07:31:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_communication.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_communication.F90
-/build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F:940:13:
-
- 940 | IF (jatom /= last_jatom) THEN
- | ^
-Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F:825:97:
-
- 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="\"Tue Apr 1 03:41:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_sccs.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_sccs.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_integrate_potential_single.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential_single.F qs_integrate_potential_single.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_integrate_potential_product.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_single.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_product.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_integrate_potential_product.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_collocate_density.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_collocate_density.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_collocate_density.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'preconditioner.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/preconditioner.F preconditioner.F90
/build/reproducible-path/cp2k-2024.2/src/qs_sccs.F:319:41:
319 | filename = mpi_filename
@@ -56147,6 +56005,10 @@
739 | filename = mpi_filename
| 1
Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation]
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_dbcsr_output.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_dbcsr_output.F 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="\"Tue Apr 1 03:41:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' preconditioner.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_output.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_dbcsr_output.F90
/build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential_single.F:993:98:
993 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: h_block, hab, hmat, p_block, pab, pblk, &
@@ -56192,76 +56054,14 @@
993 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: h_block, hab, hmat, p_block, pab, pblk, &
| ^
note: 'pblk.dim[0].ubound' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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
-/build/reproducible-path/cp2k-2024.2/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))
- | ^
-Warning: 'ncoa' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential_product.F:120:23:
-
- 120 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb
- | ^
-note: 'ncoa' was declared here
-/build/reproducible-path/cp2k-2024.2/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))
- | ^
-Warning: 'sgfa' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential_product.F:120:74:
-
- 120 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb
- | ^
-note: 'sgfa' was declared here
-/build/reproducible-path/cp2k-2024.2/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))
- | ^
-Warning: 'ncob' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential_product.F:120:29:
-
- 120 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb
- | ^
-note: 'ncob' was declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential_product.F:503:41:
-
- 503 | 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-2024.2/src/qs_integrate_potential_product.F:120:80:
-
- 120 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb
- | ^
-note: 'sgfb' was declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F:188:13:
-
- 188 | IF (jatom /= last_jatom) THEN
- | ^
-Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F:80:97:
-
- 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-2024.2/src/qs_collocate_density.F:2149:10:
-
- 2149 | IF (distributed_rs_grids) THEN
- | ^
-Warning: 'distributed_rs_grids' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_collocate_density.F:2049:99:
-
- 2049 | LOGICAL :: atom_pair_changed, distributed_rs_grids, &
- | ^
-note: 'distributed_rs_grids' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'surface_dipole.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/surface_dipole.F surface_dipole.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_vxc.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_forces.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"surface_dipole.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:41:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_forces.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' lri_forces.F90
/build/reproducible-path/cp2k-2024.2/src/qs_sccs.F:853:63:
853 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min)
@@ -56312,99 +56112,75 @@
1079 | ln_rho_min, q, rho, t, x, y
| ^
note: 'q' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_load_balance_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_vxc_atom.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_vxc_atom.F qs_vxc_atom.F90
-/build/reproducible-path/cp2k-2024.2/src/qs_collocate_density.F:1764:10:
+/build/reproducible-path/cp2k-2024.2/src/cp_dbcsr_output.F:238:10:
- 1764 | IF (distributed_rs_grids) THEN
+ 238 | IF (print_sym) THEN
| ^
-Warning: 'distributed_rs_grids' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_collocate_density.F:1661:99:
+Warning: 'print_sym' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/cp_dbcsr_output.F:175:86:
- 1661 | 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="\"Sun May 3 07:31:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc_atom.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_vxc_atom.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_adiabatic_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc_adiabatic_methods.F xc_adiabatic_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_rho0_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_rho0_methods.F qs_rho0_methods.F90
+ 175 | LOGICAL :: my_omit_headers, print_sym
+ | ^
+note: 'print_sym' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_rho_atom_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_rho_atom_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ks_atom.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_atom.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ks_atom.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_forces.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_forces.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' lri_forces.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_ddapc_forces.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_ddapc_forces.F cp_ddapc_forces.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'se_fock_matrix_exchange.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:14 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_forces.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:14 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_exchange.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' se_fock_matrix_exchange.F90
-/build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential_product.F:214:10:
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ec_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:41:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_rho_atom_methods.F90
+/build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential_product.F:500:127:
- 214 | IF (distributed_grids) THEN
- | ^
-Warning: 'distributed_grids' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential_product.F:125:84:
+ 500 | work(1:ncob, 1:nsgfa(iset)) = MATMUL(hdab(i, 1:ncob, 1:ncoa), sphi_a(1:ncoa, sgfa:sgfa + nsgfa(iset) - 1))
+ | ^
+Warning: 'ncoa' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential_product.F:120:23:
- 125 | LOGICAL :: atom_pair_changed, atom_pair_done, dh_duplicated, distributed_grids, found, &
- | ^
-note: 'distributed_grids' was declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_rho0_methods.F:193:74:
+ 120 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb
+ | ^
+note: 'ncoa' was declared here
+/build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential_product.F:500:127:
- 193 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as
+ 500 | work(1:ncob, 1:nsgfa(iset)) = MATMUL(hdab(i, 1:ncob, 1:ncoa), sphi_a(1:ncoa, sgfa:sgfa + nsgfa(iset) - 1))
+ | ^
+Warning: 'sgfa' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential_product.F:120:74:
+
+ 120 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb
| ^
-Warning: 'cpc_as.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_rho0_methods.F:193:66:
+note: 'sgfa' was declared here
+/build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential_product.F:500:127:
- 193 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as
- | ^
-Warning: 'cpc_ah.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'se_fock_matrix_coulomb.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/se_fock_matrix_coulomb.F se_fock_matrix_coulomb.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dispersion_pairpot.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:14 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_coulomb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' se_fock_matrix_coulomb.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:14 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_pairpot.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dispersion_pairpot.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_core_energies.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:14 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_energies.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_core_energies.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ec_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:15 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ec_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_mixing_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:15 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mixing_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_mixing_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_diis.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_diis.F qs_diis.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:15 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_diis.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_gspace_mixing.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_gspace_mixing.F qs_gspace_mixing.F90
-/build/reproducible-path/cp2k-2024.2/src/mp2_ri_gpw.F:652:28:
+ 500 | work(1:ncob, 1:nsgfa(iset)) = MATMUL(hdab(i, 1:ncob, 1:ncoa), sphi_a(1:ncoa, sgfa:sgfa + nsgfa(iset) - 1))
+ | ^
+Warning: 'ncob' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential_product.F:120:29:
- 652 | DEALLOCATE (B_ia_Q)
- | ^
-Warning: 'b_ia_q.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_ri_gpw.F:119:66:
+ 120 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb
+ | ^
+note: 'ncob' was declared here
+/build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential_product.F:503:41:
- 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 May 3 07:31:15 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gspace_mixing.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_gspace_mixing.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_env_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw_env_methods.F 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 May 3 07:31:16 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pw_env_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_csr_write.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:16 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_csr_write.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_scf_csr_write.F90
+ 503 | 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-2024.2/src/qs_integrate_potential_product.F:120:80:
+
+ 120 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb
+ | ^
+note: 'sgfb' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hartree_local_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hartree_local_methods.F hartree_local_methods.F90
+/build/reproducible-path/cp2k-2024.2/src/qs_collocate_density.F:2149:10:
+
+ 2149 | IF (distributed_rs_grids) THEN
+ | ^
+Warning: 'distributed_rs_grids' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_collocate_density.F:2049:99:
+
+ 2049 | 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="\"Tue Apr 1 03:41:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hartree_local_methods.F90
/build/reproducible-path/cp2k-2024.2/src/qs_dispersion_pairpot.F:1667:19:
1667 | IF (idmp == 1) THEN
@@ -56515,6 +56291,299 @@
1271 | 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-2024.2/src/qs_collocate_density.F:1764:10:
+
+ 1764 | IF (distributed_rs_grids) THEN
+ | ^
+Warning: 'distributed_rs_grids' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_collocate_density.F:1661:99:
+
+ 1661 | LOGICAL :: atom_pair_changed, distributed_rs_grids, &
+ | ^
+note: 'distributed_rs_grids' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_tb_coulomb.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_tb_coulomb.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dftb3_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dftb3_methods.F qs_dftb3_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ks_qmmm_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ks_qmmm_methods.F qs_ks_qmmm_methods.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb3_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ks_qmmm_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_core_energies.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_energies.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_core_energies.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_operators_ao.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F qs_operators_ao.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'moments_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_operators_ao.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_operators_ao.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_screening_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"moments_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_screening_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_screening_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_communication.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_communication.F hfx_communication.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'hfx_load_balance_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="\"Tue Apr 1 03:41:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_communication.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_communication.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_neighbor_lists.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_neighbor_lists.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_adiabatic_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc_adiabatic_methods.F xc_adiabatic_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ks_atom.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ks_atom.F qs_ks_atom.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_rho0_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_atom.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ks_atom.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'se_fock_matrix_coulomb.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/se_fock_matrix_coulomb.F se_fock_matrix_coulomb.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_rho0_methods.F90
+/build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F:1508:13:
+
+ 1508 | IF (jatom /= last_jatom) THEN
+ | ^
+Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F:1362:38:
+
+ 1362 | jkind, jpgf, jset, last_jatom, lda_min, ldab, ldb_min, ldsa, ldsb, ldwork, M_dim, maxl, &
+ | ^
+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="\"Tue Apr 1 03:41:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_coulomb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' se_fock_matrix_coulomb.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'se_fock_matrix_exchange.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_exchange.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' se_fock_matrix_exchange.F90
+/build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F:1221:13:
+
+ 1221 | IF (jatom /= last_jatom) THEN
+ | ^
+Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F:1095:19:
+
+ 1095 | last_jatom, ldab, ldsa, ldsb, ldwork, M_dim, maxl, ncoa, ncob, nkind, nseta, nsetb, sgfa, &
+ | ^
+note: 'last_jatom' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_ddapc_forces.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_forces.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_ddapc_forces.F90
+/build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F:940:13:
+
+ 940 | IF (jatom /= last_jatom) THEN
+ | ^
+Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F:825:97:
+
+ 825 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, &
+ | ^
+note: 'last_jatom' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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
+/build/reproducible-path/cp2k-2024.2/src/qs_rho0_methods.F:193:74:
+
+ 193 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as
+ | ^
+Warning: 'cpc_as.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_rho0_methods.F:193:66:
+
+ 193 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as
+ | ^
+Warning: 'cpc_ah.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_gspace_mixing.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_gspace_mixing.F qs_gspace_mixing.F90
+/build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F:188:13:
+
+ 188 | IF (jatom /= last_jatom) THEN
+ | ^
+Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_operators_ao.F:80:97:
+
+ 80 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, &
+ | ^
+note: 'last_jatom' was declared here
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gspace_mixing.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_gspace_mixing.F90
+/build/reproducible-path/cp2k-2024.2/src/qs_neighbor_lists.F:1167:53:
+
+ 1167 | CPABORT("")
+ | ^
+Warning: 'otype' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_neighbor_lists.F:1043:57:
+
+ 1043 | kcell, maxat, mol_a, mol_b, nkind, otype, natom, inode, nnode, nentry
+ | ^
+note: 'otype' was declared here
+/build/reproducible-path/cp2k-2024.2/src/qs_neighbor_lists.F:1335:43:
+
+ 1335 | IF (mol_a /= mol_b) CYCLE
+ | ^
+Warning: 'mol_b' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_neighbor_lists.F:1043:43:
+
+ 1043 | kcell, maxat, mol_a, mol_b, nkind, otype, natom, inode, nnode, nentry
+ | ^
+note: 'mol_b' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_diis.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_diis.F qs_diis.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:41:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_diis.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_mixing_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mixing_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_mixing_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_potentials.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_potentials.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_potentials.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_linpot_rotinv.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_rotinv.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_linpot_rotinv.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_linpot_full.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:58 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_full.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_linpot_full.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_gcp_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:41:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_gcp_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_print_dft.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/pao_potentials.F:119:76: Warning: 'new_block_d.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/pao_potentials.F:119:76: Warning: 'new_block_d.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_basis_rotation_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_basis_rotation_methods.F qs_basis_rotation_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_energy_matrix_w.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_energy_matrix_w.F qs_energy_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="\"Tue Apr 1 03:41:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_rotation_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_basis_rotation_methods.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_matrix_w.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_energy_matrix_w.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pw_env_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pw_env_methods.F pw_env_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'optimize_dmfet_potential.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/optimize_dmfet_potential.F 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="\"Tue Apr 1 03:42:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_dmfet_potential.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' optimize_dmfet_potential.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_loc_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_loc_utils.F qs_loc_utils.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/qs_gspace_mixing.F:287:86:
+
+ 287 | jb, n1, n2, natom, nb, nb1, nbuffer, &
+ | ^
+note: 'nb1' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/qs_gspace_mixing.F:294:64: Warning: 'b.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/src/qs_gspace_mixing.F:291:85:
+
+ 291 | inv_err, norm, norm_c_inv, res_norm, &
+ | ^
+note: 'norm_c_inv' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'voronoi_interface.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/voronoi_interface.F 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="\"Tue Apr 1 03:42:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_loc_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mao_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"voronoi_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mao_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dos.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dos.F qs_dos.F90
+/build/reproducible-path/cp2k-2024.2/src/qs_mixing_utils.F:120:80:
+
+ 120 | max_shell, na, natom, nbuffer, nel, &
+ | ^
+Warning: 'natom' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_mixing_utils.F:198:46:
+
+ 198 | mixing_store%max_shell = max_shell
+ | ^
+Warning: 'max_shell' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_mixing_utils.F:120:69:
+
+ 120 | max_shell, na, natom, nbuffer, nel, &
+ | ^
+note: 'max_shell' 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="\"Tue Apr 1 03:42:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dos.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dos.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_csr_write.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_scf_csr_write.F qs_scf_csr_write.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_epr_hyp.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_epr_hyp.F 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="\"Tue Apr 1 03:42:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_csr_write.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_epr_hyp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_epr_hyp.F90
+/build/reproducible-path/cp2k-2024.2/src/voronoi_interface.F:70:24:
+
+ 70 | INTEGER :: step_count = 0
+ | 1
+Warning: Unused PRIVATE module variable 'step_count' declared at (1) [-Wunused-value]
/build/reproducible-path/cp2k-2024.2/src/pw_env_methods.F:827:16:
827 | IF (igrid_zet0_s == igrid_level) maxradius = MAX(maxradius, max_rpgf0_s)
@@ -56525,6 +56594,24 @@
781 | INTEGER :: handle, ibasis_set_type, igrid_level, igrid_zet0_s, ikind, ipgf, iset, ishell, &
| ^
note: 'igrid_zet0_s' was declared here
+/build/reproducible-path/cp2k-2024.2/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]
+/build/reproducible-path/cp2k-2024.2/src/pw_env_methods.F:1055:45:
+
+ 1055 | 1, (/-1, -1, -1/))
+ | ^
+Warning: 'border_points' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/pw_env_methods.F:1037:73:
+
+ 1037 | INTEGER :: border_points, handle
+ | ^
+note: 'border_points' declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'wannier_states.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:01 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' wannier_states.F90
/build/reproducible-path/cp2k-2024.2/src/qs_scf_csr_write.F:423:67:
423 | CALL dbcsr_convert_dbcsr_to_csr(cmatrix, mat_csr)
@@ -56575,102 +56662,47 @@
338 | rmatrix, rmatrix_nosym, tmatrix
| ^
note: 'tmatrix' was declared here
-/build/reproducible-path/cp2k-2024.2/src/pw_env_methods.F:1055:45:
-
- 1055 | 1, (/-1, -1, -1/))
- | ^
-Warning: 'border_points' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/pw_env_methods.F:1037:73:
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_external_density.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_density.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_external_density.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_gcp_method.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_gcp_method.F qs_gcp_method.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'se_core_core.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_method.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_core.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' se_core_core.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fb_distribution_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_fb_distribution_methods.F qs_fb_distribution_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'min_basis_set.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/min_basis_set.F 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="\"Tue Apr 1 03:42:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_distribution_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_distribution_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xray_diffraction.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xray_diffraction.F xray_diffraction.F90
+/build/reproducible-path/cp2k-2024.2/src/qs_gspace_mixing.F:685:108:
- 1037 | INTEGER :: border_points, handle
- | ^
-note: 'border_points' declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dos.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:17 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dos.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dos.F90
-/build/reproducible-path/cp2k-2024.2/src/qs_mixing_utils.F:120:80:
+ 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-2024.2/src/qs_gspace_mixing.F:565:80:
- 120 | max_shell, na, natom, nbuffer, nel, &
+ 565 | INTEGER :: handle, i, iatom, ib, ig, ispin, j, jb, &
| ^
-Warning: 'natom' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_mixing_utils.F:198:46:
-
- 198 | mixing_store%max_shell = max_shell
- | ^
-Warning: 'max_shell' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_mixing_utils.F:120:69:
-
- 120 | max_shell, na, natom, nbuffer, nel, &
- | ^
-note: 'max_shell' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/qs_gspace_mixing.F:287:86:
-
- 287 | jb, n1, n2, natom, nb, nb1, nbuffer, &
- | ^
-note: 'nb1' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/qs_gspace_mixing.F:294:64: Warning: 'b.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/qs_gspace_mixing.F:444:56:
+note: 'ib' 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="\"Tue Apr 1 03:42:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"min_basis_set.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' min_basis_set.F90
+/build/reproducible-path/cp2k-2024.2/src/qs_loc_utils.F:607:13:
- 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-2024.2/src/qs_gspace_mixing.F:291:85:
+ 607 | IF (jatom /= last_jatom) THEN
+ | ^
+Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_loc_utils.F:492:97:
- 291 | inv_err, norm, norm_c_inv, res_norm, &
- | ^
-note: 'norm_c_inv' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mao_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mao_methods.F mao_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xray_diffraction.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xray_diffraction.F xray_diffraction.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mao_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_loc_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xray_diffraction.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_loc_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'min_basis_set.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/min_basis_set.F 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="\"Sun May 3 07:31:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"min_basis_set.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' min_basis_set.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_epr_hyp.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_epr_hyp.F 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 May 3 07:31:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_epr_hyp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_epr_hyp.F90
+ 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-2024.2/Makefile:513: update target 'qs_chargemol.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_chargemol.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_chargemol.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_gcp_method.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_method.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_gcp_method.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_environment_init.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' lri_environment_init.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_external_density.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_density.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_external_density.F90
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xray_diffraction.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_chargemol.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_chargemol.F90
/build/reproducible-path/cp2k-2024.2/src/qs_gcp_method.F:293:13:
293 | IF (use_virial) THEN
@@ -56681,34 +56713,6 @@
76 | LOGICAL :: atenergy, atex, atstress, use_virial, &
| ^
note: 'use_virial' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/qs_gspace_mixing.F:685:108:
-
- 685 | mixing_store%res_buffer(ib, ispin)%cc(ig) = res_rho(ig) - mixing_store%last_res(ispin)%cc(ig)
- | ^
-Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_gspace_mixing.F:565:80:
-
- 565 | INTEGER :: handle, i, iatom, ib, ig, ispin, j, jb, &
- | ^
-note: 'ib' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_energy_matrix_w.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_energy_matrix_w.F qs_energy_matrix_w.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fb_distribution_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_matrix_w.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_energy_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 May 3 07:31:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_distribution_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_distribution_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_basis_rotation_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_basis_rotation_methods.F qs_basis_rotation_methods.F90
/build/reproducible-path/cp2k-2024.2/src/qs_loc_utils.F:327:25:
327 | IF (ABS(occ_imo - my_occ) > localized_wfn_control%eps_occ) THEN
@@ -56719,7 +56723,59 @@
247 | REAL(KIND=dp) :: my_occ, occ_imo
| ^
note: 'my_occ' 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 May 3 07:31:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_rotation_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_basis_rotation_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'basis_set_output.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/basis_set_output.F basis_set_output.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:513: update target 'rt_propagation_forces.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"basis_set_output.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_forces.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rt_propagation_forces.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/se_core_core.F:208:53:
+
+ 208 | dr3inv = -3.0_dp*rij*r3inv*r2inv
+ | ^
+Warning: 'r2inv' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/se_core_core.F:91:75:
+
+ 91 | enuclear, r2inv, r3inv, rinv
+ | ^
+note: 'r2inv' was declared here
+/build/reproducible-path/cp2k-2024.2/src/se_core_core.F:208:53:
+
+ 208 | dr3inv = -3.0_dp*rij*r3inv*r2inv
+ | ^
+Warning: 'r3inv' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/se_core_core.F:91:82:
+
+ 91 | enuclear, r2inv, r3inv, rinv
+ | ^
+note: 'r3inv' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_cdft_scf_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_cdft_scf_utils.F qs_cdft_scf_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_matrix_w.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_scf_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_cdft_scf_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_eri.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mp2_eri.F mp2_eri.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_w.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_matrix_w.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_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="\"Tue Apr 1 03:42:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_eri.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_grids.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mp2_grids.F mp2_grids.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kpoint_coulomb_2c.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/kpoint_coulomb_2c.F kpoint_coulomb_2c.F90
/build/reproducible-path/cp2k-2024.2/src/qs_chargemol.F:580:64:
580 | DO imo = mos(roks_low)%homo + 1, mos(roks_high)%homo
@@ -56770,190 +56826,26 @@
867 | INTEGER FUNCTION pgf_type_chargemol(l_symb) RESULT(label)
| ^
note: 'label' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_print_dft.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_gcp_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_gcp_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'almo_scf_env_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/almo_scf_env_methods.F almo_scf_env_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_env_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' almo_scf_env_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_potentials.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_potentials.F pao_potentials.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_linpot_full.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_linpot_full.F pao_linpot_full.F90
-/build/reproducible-path/cp2k-2024.2/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]
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_potentials.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_full.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_linpot_full.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_linpot_rotinv.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_linpot_rotinv.F pao_linpot_rotinv.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'wannier_states.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_rotinv.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' wannier_states.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_ri_gpw.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_communication.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_grids.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_grids.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_grids.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'bse_iterative.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/bse_iterative.F bse_iterative.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_eri.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_iterative.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' bse_iterative.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_eri.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kpoint_coulomb_2c.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/kpoint_coulomb_2c.F kpoint_coulomb_2c.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_coulomb_2c.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kpoint_coulomb_2c.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'basis_set_output.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/basis_set_output.F basis_set_output.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_cdft_scf_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"basis_set_output.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_scf_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_cdft_scf_utils.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/pao_potentials.F:119:76: Warning: 'new_block_d.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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="\"Tue Apr 1 03:42:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_grids.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_grids.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gw_integrals.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_coulomb_2c.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' gw_integrals.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'soc_pseudopotential_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"soc_pseudopotential_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' soc_pseudopotential_methods.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:513: update target 'et_coupling.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"soc_pseudopotential_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' soc_pseudopotential_methods.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' et_coupling.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_stda_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_stda_types.F qs_tddfpt2_stda_types.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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="\"Sun May 3 07:31:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_stda_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_matrix_w.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_w.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_matrix_w.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_tdp_kernel.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_kernel.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_tdp_kernel.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_stda_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_assign.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_assign.F qs_tddfpt2_assign.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'et_coupling.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_assign.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' et_coupling.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_epr_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_epr_utils.F qs_linres_epr_utils.F90
-/build/reproducible-path/cp2k-2024.2/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)
- | ^
-Warning: 'a_full.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1080:66:
-
- 1080 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: A_full, v_iajb, W_ijab
- | ^
-note: 'a_full.offset' was declared here
-/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1080:66: Warning: 'a_full.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1080:66: Warning: 'a_full.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/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)
- | ^
-Warning: 'a_full.dim[3].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1080:66:
-
- 1080 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: A_full, v_iajb, W_ijab
- | ^
-note: 'a_full.dim[3].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1178:99:
-
- 1178 | A_full_reshaped(n, m) = eigen_diff + 2*v_iajb(i, a, j, b) - W_ijab(i, j, a, b)
- | ^
-Warning: 'a_full_reshaped.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1079:75:
-
- 1079 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: A_full_reshaped
- | ^
-note: 'a_full_reshaped.offset' was declared here
-/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1178:99:
-
- 1178 | A_full_reshaped(n, m) = eigen_diff + 2*v_iajb(i, a, j, b) - W_ijab(i, j, a, b)
- | ^
-Warning: 'a_full_reshaped.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1079:75:
-
- 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="\"Sun May 3 07:31:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_epr_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_nmr_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_nmr_utils.F qs_linres_nmr_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qcschema.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qcschema.F qcschema.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qcschema.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qcschema.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_propagation_forces.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_forces.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_kernel.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_tdp_kernel.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_assign.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_assign.F90
/build/reproducible-path/cp2k-2024.2/src/et_coupling.F:220:23:
220 | W_mat(1, 1) = Wbb
@@ -56984,57 +56876,120 @@
72 | REAL(KIND=dp) :: Sda, strength, Waa, Wbb, Wda
| ^
note: 'strength' declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'optimize_dmfet_potential.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/optimize_dmfet_potential.F 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 May 3 07:31:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_dmfet_potential.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' optimize_dmfet_potential.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_nmr_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_nmr_utils.F qs_linres_nmr_utils.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_nmr_utils.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:513: update target 'qs_linres_epr_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_epr_utils.F qs_linres_epr_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qcschema.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qcschema.F qcschema.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_projection_mo_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/emd/rt_projection_mo_utils.F rt_projection_mo_utils.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_projection_mo_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/emd/' rt_projection_mo_utils.F90
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_epr_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_hfx_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qcschema.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_projection_mo_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/emd/' rt_projection_mo_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt_types.F qs_tddfpt_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_hfx_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_hfx_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a' due to: target does not exist
+echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a"
+Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a xc_derivative_set_types.o xc_vwn.o xc_xbeef.o xc_derivative_types.o xc_xalpha.o xc_xwpbe.o xc_atom.o xc_cs1.o xc_derivatives.o xc_perdew_zunger.o xc_lyp.o xc_xbecke88_lr_adiabatic.o xc.o xc_xbr_pbe_lda_hole_t_c_lr.o xc_thomas_fermi.o cp_linked_list_xc_deriv.o xc_rho_set_types.o xc_hcth.o xc_fxc_kernel.o xc_perdew_wang.o xc_xlda_hole_t_c_lr.o xc_pbe.o xc_lyp_adiabatic.o xc_input_constants.o xc_b97_fxc.o xc_xbecke_roussel.o xc_xbecke88_long_range.o xc_xbecke88.o xc_libxc.o xc_perdew86.o xc_optx.o xc_pade.o xc_rho_cflags_types.o xc_libxc_wrap.o xc_tfw.o xc_tpss.o xc_util.o xc_b97.o xc_functionals_utilities.o xc_ke_gga.o xc_exchange_gga.o xc_xpbe_hole_t_c_lr.o xc_derivative_desc.o
+ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_types.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_coordinate_util.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dkh_main.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_atom.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'force_fields_util.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_generate_util.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'moments_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'almo_scf_env_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dftb3_methods.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dispersion_pairpot.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_tb_coulomb.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lri_environment_init.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_sccs.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_integrate_potential_single.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_integrate_potential_product.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_collocate_density.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'preconditioner.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_dbcsr_output.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_neighbor_lists.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'surface_dipole.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ks_qmmm_methods.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lri_forces.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'se_core_core.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ri_environment_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ri_environment_methods.F ri_environment_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_rho_atom_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'voronoi_interface.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_environment_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/lri_environment_methods.F lri_environment_methods.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'ec_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="\"Tue Apr 1 03:42:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' lri_environment_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hartree_local_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_tb_coulomb.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dftb3_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ks_qmmm_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_core_energies.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_spin_orbit.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_spin_orbit.F qs_spin_orbit.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_operators_ao.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_elec_field.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_elec_field.F 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="\"Sun May 3 07:31:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elec_field.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_elec_field.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fermi_contact.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_fermi_contact.F qs_fermi_contact.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'moments_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'admm_dm_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/admm_dm_methods.F admm_dm_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_pw_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_pw_methods.F hfx_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="\"Tue Apr 1 03:42:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' admm_dm_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_screening_methods.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pw_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_pw_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_communication.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/mp2_eri.F:1280:116:
1280 | habc_uncontr_d(ico, jco, kcoz)]
@@ -57420,132 +57375,52 @@
1115 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: habdc_contr, habdc_uncontr, hadbc_contr, &
| ^
note: 'habdc_contr.dim[3].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 May 3 07:31:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fermi_contact.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dkh_main.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'surface_dipole.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'preconditioner.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_integrate_potential_product.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_integrate_potential_single.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_collocate_density.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_sccs.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hartree_local_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_screening_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_communication.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_neighbor_lists.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_adiabatic_methods.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_derivatives.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F hfx_derivatives.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_vxc_atom.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_vxc_atom.F qs_vxc_atom.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_rho0_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_rho_atom_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ks_atom.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_energy_potential.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F hfx_energy_potential.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tensors.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tensors.F qs_tensors.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_pw_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_pw_methods.F hfx_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 May 3 07:31:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_energy_potential.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pw_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_pw_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ri_environment_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ri_environment_methods.F ri_environment_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ri_environment_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_environment_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/lri_environment_methods.F lri_environment_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' lri_environment_methods.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lri_forces.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'cp_ddapc_forces.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dft_plus_u.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dft_plus_u.F dft_plus_u.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_derivatives.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_derivatives.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'se_fock_matrix_exchange.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'se_fock_matrix_coulomb.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'admm_dm_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/admm_dm_methods.F admm_dm_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:26 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' admm_dm_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dispersion_pairpot.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_ddapc_forces.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_core_energies.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="\"Tue Apr 1 03:42:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc_atom.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_vxc_atom.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_gspace_mixing.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dft_plus_u.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dft_plus_u.F dft_plus_u.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ec_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="\"Tue Apr 1 03:42:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dft_plus_u.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' dft_plus_u.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_block_davidson.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_scf_block_davidson.F qs_scf_block_davidson.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_diis.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_mixing_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_diis.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_potentials.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_block_davidson.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:26 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dft_plus_u.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' dft_plus_u.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_gspace_mixing.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_linpot_rotinv.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pw_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="\"Tue Apr 1 03:42:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_block_davidson.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_scf_block_davidson.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_linpot_full.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_energy_window.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_energy_window.F 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="\"Sun May 3 07:31:26 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_block_davidson.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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 May 3 07:31:26 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_window.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_energy_window.F90
-/build/reproducible-path/cp2k-2024.2/src/mp2_eri.F:1505:38:
-
- 1505 | END FUNCTION convert_potential_type
- | ^
-Warning: 'res' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_eri.F:1493:62:
-
- 1493 | FUNCTION convert_potential_type(potential_type) RESULT(res)
- | ^
-note: 'res' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'population_analyses.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/population_analyses.F population_analyses.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_ml_descriptor.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_ml_descriptor.F pao_ml_descriptor.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kg_environment.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/kg_environment.F kg_environment.F90
/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:26 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"population_analyses.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' population_analyses.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_descriptor.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_ml_descriptor.F90
/build/reproducible-path/cp2k-2024.2/src/ri_environment_methods.F:634:23:
634 | IF (symm .AND. (iatom /= jatom)) THEN
@@ -57556,6 +57431,10 @@
600 | LOGICAL :: symm
| ^
note: 'symm' was declared here
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kg_environment.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_elec_field.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_elec_field.F qs_elec_field.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_spin_orbit.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/src/qs_scf_block_davidson.F:884:43:
884 | i_first = inotconv_set(j, 1)
@@ -57576,449 +57455,398 @@
487 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: iconv_set, inotconv_set
| ^
note: 'inotconv_set.offset' was declared here
-/build/reproducible-path/cp2k-2024.2/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]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_csr_write.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'stm_images.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/stm_images.F stm_images.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"stm_images.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' stm_images.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dos.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_elf_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_elf_methods.F qs_elf_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elf_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_elf_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mao_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xray_diffraction.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_loc_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_loc_dipole.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_dipole.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_loc_dipole.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'min_basis_set.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_epr_hyp.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_resp.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_resp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_resp.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_chargemol.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_core_hamiltonian.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_core_hamiltonian.F qs_core_hamiltonian.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_hamiltonian.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_core_hamiltonian.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_gcp_method.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_external_potential.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_external_potential.F qs_external_potential.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_potential.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_external_potential.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lri_environment_init.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'se_core_matrix.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/se_core_matrix.F se_core_matrix.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_matrix.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' se_core_matrix.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_external_density.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:972:94:
-
- 972 | memory_parameter%actual_memory_usage_disk, .TRUE.)
- | ^
-Warning: 'maxval_cache_disk' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:219:91:
-
- 219 | TYPE(hfx_cache_type), POINTER :: maxval_cache, maxval_cache_disk
- | ^
-note: 'maxval_cache_disk' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:972:94:
-
- 972 | memory_parameter%actual_memory_usage_disk, .TRUE.)
- | ^
-Warning: 'maxval_container_disk' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:222:99:
-
- 222 | TYPE(hfx_container_type), POINTER :: maxval_container, maxval_container_disk
- | ^
-note: 'maxval_container_disk' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:975:97:
-
- 975 | memory_parameter%actual_memory_usage_disk, .TRUE.)
- | ^
-Warning: 'integral_containers_disk.data' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:221:84:
-
- 221 | integral_containers_disk
- | ^
-note: 'integral_containers_disk.data' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:975:97:
-
- 975 | memory_parameter%actual_memory_usage_disk, .TRUE.)
- | ^
-Warning: 'integral_containers_disk.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:221:84:
-
- 221 | integral_containers_disk
- | ^
-note: 'integral_containers_disk.offset' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:975:97:
-
- 975 | memory_parameter%actual_memory_usage_disk, .TRUE.)
- | ^
-Warning: 'integral_containers_disk.span' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:221:84:
-
- 221 | integral_containers_disk
- | ^
-note: 'integral_containers_disk.span' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:975:97:
-
- 975 | memory_parameter%actual_memory_usage_disk, .TRUE.)
- | ^
-Warning: 'integral_containers_disk.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:221:84:
-
- 221 | integral_containers_disk
- | ^
-note: 'integral_containers_disk.dim[0].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:975:97:
-
- 975 | memory_parameter%actual_memory_usage_disk, .TRUE.)
- | ^
-Warning: 'integral_caches_disk.data' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:218:97:
-
- 218 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches, integral_caches_disk
- | ^
-note: 'integral_caches_disk.data' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dftb_dispersion.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dftb_dispersion.F qs_dftb_dispersion.F90
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1466:50:
-
- 1466 | use_disk_storage)
- | ^
-Warning: 'maxval_cache' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:219:72:
-
- 219 | TYPE(hfx_cache_type), POINTER :: maxval_cache, maxval_cache_disk
- | ^
-note: 'maxval_cache' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1466:50:
-
- 1466 | use_disk_storage)
- | ^
-Warning: 'maxval_container' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:222:76:
-
- 222 | TYPE(hfx_container_type), POINTER :: maxval_container, maxval_container_disk
- | ^
-note: 'maxval_container' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1492:83:
-
- 1492 | use_disk_storage)
- | ^
-Warning: 'integral_caches.data' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:218:75:
-
- 218 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches, integral_caches_disk
- | ^
-note: 'integral_caches.data' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1492:83:
-
- 1492 | use_disk_storage)
- | ^
-Warning: 'integral_caches.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:218:75:
-
- 218 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches, integral_caches_disk
- | ^
-note: 'integral_caches.offset' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1492:83:
-
- 1492 | use_disk_storage)
- | ^
-Warning: 'integral_caches.span' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:218:75:
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elec_field.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_elec_field.F90
+/build/reproducible-path/cp2k-2024.2/src/mp2_eri.F:1505:38:
- 218 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches, integral_caches_disk
- | ^
-note: 'integral_caches.span' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1492:83:
+ 1505 | END FUNCTION convert_potential_type
+ | ^
+Warning: 'res' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mp2_eri.F:1493:62:
- 1492 | use_disk_storage)
- | ^
-Warning: 'integral_caches.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:218:75:
+ 1493 | FUNCTION convert_potential_type(potential_type) RESULT(res)
+ | ^
+note: 'res' was declared here
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_spin_orbit.F90
+/build/reproducible-path/cp2k-2024.2/src/pao_ml_descriptor.F:111:67:
- 218 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches, integral_caches_disk
- | ^
-note: 'integral_caches.dim[0].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1492:83:
+ 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-2024.2/src/pao_ml_descriptor.F:159:28:
- 1492 | use_disk_storage)
- | ^
-Warning: 'integral_containers.data' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:220:79:
+ 159 | block_M = 0.0_dp
+ | ^
+Warning: 'block_m.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/pao_ml_descriptor.F:111:67:
- 220 | TYPE(hfx_container_type), DIMENSION(:), POINTER :: integral_containers, &
- | ^
-note: 'integral_containers.data' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1492:83:
+ 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs
+ | ^
+note: 'block_m.dim[0].ubound' was declared here
+/build/reproducible-path/cp2k-2024.2/src/pao_ml_descriptor.F:111:67: Warning: 'block_m.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fermi_contact.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_fermi_contact.F qs_fermi_contact.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_gcp_utils.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fermi_contact.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_xas.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_xas.F input_cp2k_xas.F90
+/build/reproducible-path/cp2k-2024.2/src/qs_spin_orbit.F:195:13:
- 1492 | use_disk_storage)
- | ^
-Warning: 'integral_containers.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:220:79:
+ 195 | IF (jatom /= last_jatom) THEN
+ | ^
+Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_spin_orbit.F:82:19:
- 220 | TYPE(hfx_container_type), DIMENSION(:), POINTER :: integral_containers, &
- | ^
-note: 'integral_containers.offset' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1492:83:
+ 82 | last_jatom, ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, &
+ | ^
+note: 'last_jatom' was declared here
+/build/reproducible-path/cp2k-2024.2/src/qs_elec_field.F:198:13:
- 1492 | use_disk_storage)
- | ^
-Warning: 'integral_containers.span' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:220:79:
+ 198 | IF (jatom /= last_jatom) THEN
+ | ^
+Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_elec_field.F:83:19:
- 220 | TYPE(hfx_container_type), DIMENSION(:), POINTER :: integral_containers, &
- | ^
-note: 'integral_containers.span' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1492:83:
+ 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="\"Tue Apr 1 03:42:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xas.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_xas.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_basis_rotation_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_energy_matrix_w.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_core_hamiltonian.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_core_hamiltonian.F qs_core_hamiltonian.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_hamiltonian.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_core_hamiltonian.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'optimize_dmfet_potential.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_efield_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_efield_methods.F fist_efield_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_loc_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="\"Tue Apr 1 03:42:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_efield_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'voronoi_interface.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mao_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_energy_window.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_energy_window.F qs_energy_window.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'stm_images.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/stm_images.F stm_images.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_window.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:09 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"stm_images.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' stm_images.F90
+/build/reproducible-path/cp2k-2024.2/src/qs_fermi_contact.F:195:13:
- 1492 | use_disk_storage)
- | ^
-Warning: 'integral_containers.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:220:79:
+ 195 | IF (jatom /= last_jatom) THEN
+ | ^
+Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_fermi_contact.F:83:19:
- 220 | TYPE(hfx_container_type), DIMENSION(:), POINTER :: integral_containers, &
- | ^
-note: 'integral_containers.dim[0].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+ 83 | last_jatom, ldai, ldfc, maxco, maxlgto, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, &
+ | ^
+note: 'last_jatom' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dos.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_elf_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_elf_methods.F qs_elf_methods.F90
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'swap_id' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:166:68:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:143:46:
- 166 | sphi_c_u3, sphi_d_u1, sphi_d_u2, sphi_d_u3, swap_id, tmp_i4, unit_id
- | ^
+ 143 | sphi_d_u2, sphi_d_u3, swap_id, tmp_i4, unit_id
+ | ^
note: 'swap_id' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'MEM[(void * *)&ptr_p_1]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:82:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:68:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
note: 'MEM[(void * *)&ptr_p_1]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_1 + 8B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:82:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:68:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
note: 'MEM[(integer(kind=8) *)&ptr_p_1 + 8B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_1 + 32B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:82:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:68:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
note: 'MEM[(integer(kind=8) *)&ptr_p_1 + 32B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
-Warning: 'ptr_p_1.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:82:
+Warning: 'MEM[(integer(kind=8) *)&ptr_p_1 + 40B]' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:68:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
-note: 'ptr_p_1.dim[0].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
+note: 'MEM[(integer(kind=8) *)&ptr_p_1 + 40B]' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_1 + 64B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:82:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:68:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
note: 'MEM[(integer(kind=8) *)&ptr_p_1 + 64B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'MEM[(void * *)&ptr_p_2]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:91:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:77:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
note: 'MEM[(void * *)&ptr_p_2]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_2 + 8B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:91:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:77:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
note: 'MEM[(integer(kind=8) *)&ptr_p_2 + 8B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_2 + 32B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:91:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:77:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
note: 'MEM[(integer(kind=8) *)&ptr_p_2 + 32B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
-Warning: 'ptr_p_2.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:91:
+Warning: 'MEM[(integer(kind=8) *)&ptr_p_2 + 40B]' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:77:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
-note: 'ptr_p_2.dim[0].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
+note: 'MEM[(integer(kind=8) *)&ptr_p_2 + 40B]' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_2 + 64B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:91:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:77:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
note: 'MEM[(integer(kind=8) *)&ptr_p_2 + 64B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'MEM[(void * *)&ptr_p_3]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:100:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:86:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
note: 'MEM[(void * *)&ptr_p_3]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_3 + 8B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:100:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:86:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
note: 'MEM[(integer(kind=8) *)&ptr_p_3 + 8B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_3 + 32B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:100:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:86:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
note: 'MEM[(integer(kind=8) *)&ptr_p_3 + 32B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
-Warning: 'ptr_p_3.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:100:
+Warning: 'MEM[(integer(kind=8) *)&ptr_p_3 + 40B]' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:86:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
-note: 'ptr_p_3.dim[0].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
+note: 'MEM[(integer(kind=8) *)&ptr_p_3 + 40B]' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_3 + 64B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:100:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:86:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
note: 'MEM[(integer(kind=8) *)&ptr_p_3 + 64B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'MEM[(void * *)&ptr_p_4]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:109:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:95:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
note: 'MEM[(void * *)&ptr_p_4]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_4 + 8B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:109:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:95:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
note: 'MEM[(integer(kind=8) *)&ptr_p_4 + 8B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_4 + 32B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:109:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:95:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
note: 'MEM[(integer(kind=8) *)&ptr_p_4 + 32B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
-Warning: 'ptr_p_4.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:109:
+Warning: 'MEM[(integer(kind=8) *)&ptr_p_4 + 40B]' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:95:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
-note: 'ptr_p_4.dim[0].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
+note: 'MEM[(integer(kind=8) *)&ptr_p_4 + 40B]' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
- 1441 | IF (do_p_screening) THEN
+ 1227 | IF (screen_pmat_forces) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_4 + 64B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:109:
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:95:
- 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
- | ^
+ 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
+ | ^
note: 'MEM[(integer(kind=8) *)&ptr_p_4 + 64B]' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1472:44:
+
+ 1472 | IF (use_virial .AND. spherical_estimate_virial*pmax_entry >= eps_schwarz) THEN
+ | ^
+Warning: 'spherical_estimate_virial' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:168:90:
+
+ 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="\"Tue Apr 1 03:42:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elf_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_elf_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_csr_write.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'population_analyses.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"population_analyses.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' population_analyses.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_epr_hyp.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molecular_states.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/molecular_states.F molecular_states.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molecular_dipoles.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_states.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' molecular_states.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_dipoles.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' molecular_dipoles.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'wannier_states.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_resp.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_resp.F qs_resp.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_external_density.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'se_core_matrix.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/se_core_matrix.F se_core_matrix.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_resp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_resp.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_gcp_method.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dftb_dispersion.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dftb_dispersion.F 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="\"Tue Apr 1 03:42:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_matrix.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' se_core_matrix.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_external_potential.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_external_potential.F qs_external_potential.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_dispersion.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_potential.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_external_potential.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'se_core_core.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fb_env_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_dispersion.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_env_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_energy_matrix_w.mod' due to: target does not exist
-true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fb_env_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_distribution_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_basis_rotation_methods.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'min_basis_set.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_loc_dipole.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_loc_dipole.F qs_loc_dipole.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xray_diffraction.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_dipole.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_loc_dipole.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_chargemol.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'basis_set_output.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_propagation_forces.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_cdft_scf_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_matrix_w.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'bse_iterative.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/bse_iterative.F bse_iterative.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_grids.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_xas.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xas.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_xas.F90
/build/reproducible-path/cp2k-2024.2/src/se_core_matrix.F:424:19:
424 | SUBROUTINE makeS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, S)
@@ -58029,6 +57857,49 @@
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="\"Tue Apr 1 03:42:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_iterative.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' bse_iterative.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kpoint_coulomb_2c.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gw_integrals.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'soc_pseudopotential_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'et_coupling.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'et_coupling_proj.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/et_coupling_proj.F et_coupling_proj.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_stda_types.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_proj.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' et_coupling_proj.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_tdp_kernel.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_tdp_integrals.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xas_tdp_integrals.F xas_tdp_integrals.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_assign.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/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]
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_tdp_integrals.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_nmr_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_epr_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qcschema.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_projection_mo_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_hfx_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'optbas_opt_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/optbas_opt_utils.F optbas_opt_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'library_tests.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/library_tests.F library_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="\"Tue Apr 1 03:42:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' optbas_opt_utils.F90
/build/reproducible-path/cp2k-2024.2/src/qs_resp.F:849:16:
849 | IF (dist(i) > rmax - delta) not_in_range(i, 2) = .TRUE.
@@ -58049,21 +57920,13 @@
767 | REAL(KIND=dp) :: delta, dh(3, 3), dvol, r(3), rmax, rmin, &
| ^
note: 'rmin' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_gcp_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dispersion_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:29 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dispersion_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'almo_scf_env_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_potentials.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_linpot_full.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_linpot_rotinv.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_ml_descriptor.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_ml_descriptor.F pao_ml_descriptor.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmmx_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmmx_types.F qmmmx_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_operators.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_operators.F atom_operators.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"library_tests.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' library_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="\"Tue Apr 1 03:42:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_operators.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_operators.F90
/build/reproducible-path/cp2k-2024.2/src/qs_resp.F:1132:22:
1132 | IF (in_z*in_y*in_x == 0) CYCLE
@@ -58114,121 +57977,69 @@
1030 | REAL(KIND=dp) :: delta, dh(3, 3), r(3), rmax, rmin, &
| ^
note: 'rmin' 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 May 3 07:31:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_descriptor.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_ml_descriptor.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molecular_dipoles.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/molecular_dipoles.F molecular_dipoles.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'wannier_states.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molecular_states.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_dipoles.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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 May 3 07:31:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_states.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' molecular_states.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_grids.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'bse_iterative.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kpoint_coulomb_2c.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'basis_set_output.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_cdft_scf_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'et_coupling_proj.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/et_coupling_proj.F et_coupling_proj.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_proj.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' et_coupling_proj.F90
-/build/reproducible-path/cp2k-2024.2/src/mp2_eri.F:737:13:
+/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1277:85:
- 737 | IF (jatom /= last_jatom) THEN
- | ^
-Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_eri.F:642:62:
+ 1277 | B_iaQ_bse_local(i_occ, a_virt, LLL)
+ | ^
+Warning: 'alpha' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1238:65:
- 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-2024.2/Makefile:560: update target 'gw_integrals.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'soc_pseudopotential_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_stda_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_matrix_w.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/src/qs_dispersion_utils.F:320:74:
+ 1238 | REAL(KIND=dp) :: alpha
+ | ^
+note: 'alpha' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_xc.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_xc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_xc.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'force_fields_input.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/force_fields_input.F force_fields_input.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' force_fields_input.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_amber.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_amber.F topology_amber.F90
+/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1179:96:
- 320 | "PRINT%DFT_CONTROL_PARAMETERS")
- | ^
-Warning: 'dft_section' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_dispersion_utils.F:206:71:
+ 1179 | A_full(i, a, j, b) = eigen_diff + 2*v_iajb(i, a, j, b) - W_ijab(i, j, a, b)
+ | ^
+Warning: 'a_full.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1080:66:
- 206 | TYPE(section_vals_type), POINTER :: dft_section
- | ^
-note: 'dft_section' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_tdp_integrals.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xas_tdp_integrals.F 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="\"Sun May 3 07:31:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_tdp_integrals.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_tdp_kernel.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_assign.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'et_coupling.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_epr_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_nmr_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qcschema.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_propagation_forces.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/src/pao_ml_descriptor.F:111:67:
+ 1080 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: A_full, v_iajb, W_ijab
+ | ^
+note: 'a_full.offset' was declared here
+/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1080:66: Warning: 'a_full.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1080:66: Warning: 'a_full.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1179:96:
- 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-2024.2/src/pao_ml_descriptor.F:159:28:
+ 1179 | A_full(i, a, j, b) = eigen_diff + 2*v_iajb(i, a, j, b) - W_ijab(i, j, a, b)
+ | ^
+Warning: 'a_full.dim[3].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1080:66:
- 159 | block_M = 0.0_dp
- | ^
-Warning: 'block_m.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/pao_ml_descriptor.F:111:67:
+ 1080 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: A_full, v_iajb, W_ijab
+ | ^
+note: 'a_full.dim[3].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1178:99:
- 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs
- | ^
-note: 'block_m.dim[0].ubound' was declared here
-/build/reproducible-path/cp2k-2024.2/src/pao_ml_descriptor.F:111:67: Warning: 'block_m.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'optimize_dmfet_potential.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_projection_mo_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_hfx_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'optbas_opt_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/optbas_opt_utils.F optbas_opt_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'library_tests.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/library_tests.F library_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 May 3 07:31:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"library_tests.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' library_tests.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmmx_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmmx_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'force_fields_input.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/force_fields_input.F force_fields_input.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_amber.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_amber.F topology_amber.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_efield_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_efield_methods.F 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="\"Sun May 3 07:31:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' force_fields_input.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xtb_coulomb.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_amber.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_amber.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dftb_coulomb.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Sun May 3 07:31:31 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dftb_coulomb.F90
+ 1178 | A_full_reshaped(n, m) = eigen_diff + 2*v_iajb(i, a, j, b) - W_ijab(i, j, a, b)
+ | ^
+Warning: 'a_full_reshaped.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1079:75:
+
+ 1079 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: A_full_reshaped
+ | ^
+note: 'a_full_reshaped.offset' was declared here
+/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1178:99:
+
+ 1178 | A_full_reshaped(n, m) = eigen_diff + 2*v_iajb(i, a, j, b) - W_ijab(i, j, a, b)
+ | ^
+Warning: 'a_full_reshaped.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/bse_iterative.F:1079:75:
+
+ 1079 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: A_full_reshaped
+ | ^
+note: 'a_full_reshaped.dim[1].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dispersion_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_amber.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_amber.F90
/build/reproducible-path/cp2k-2024.2/src/force_fields_input.F:1600:73:
1600 | nonbonded%pot(start + isec)%pot%set(1)%gal21%met1 = atm_names(1)
@@ -58249,15 +58060,7 @@
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-2024.2/Makefile:560: update target 'qs_spin_orbit.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_elec_field.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fermi_contact.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_operators.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_operators.F atom_operators.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_operators.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dispersion_utils.F90
/build/reproducible-path/cp2k-2024.2/src/library_tests.F:915:21:
915 | ELSE IF (is_fullspace) THEN
@@ -58268,9 +58071,21 @@
822 | LOGICAL :: debug, is_fullspace, odd, &
| ^
note: 'is_fullspace' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_integrate_potential.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_integrate_potential.F qs_integrate_potential.F90
+/build/reproducible-path/cp2k-2024.2/src/qs_dispersion_utils.F:320:74:
+
+ 320 | "PRINT%DFT_CONTROL_PARAMETERS")
+ | ^
+Warning: 'dft_section' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_dispersion_utils.F:206:71:
+
+ 206 | TYPE(section_vals_type), POINTER :: dft_section
+ | ^
+note: 'dft_section' was declared here
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_integrate_potential.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ot.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ot.F90
/build/reproducible-path/cp2k-2024.2/src/force_fields_input.F:1335:20:
1335 | CPASSERT(np1 - 1 <= 10)
@@ -58281,6 +58096,13 @@
1184 | INTEGER :: i, ir, isec, n_items, n_rep, np1, np2
| ^
note: 'np1' was declared here
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ot.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lri_environment_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dftb_coulomb.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dftb_coulomb.F qs_dftb_coulomb.F90
/build/reproducible-path/cp2k-2024.2/src/topology_amber.F:598:34:
598 | ib(:) = ib(:)/3 + 1
@@ -58491,41 +58313,7 @@
395 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: asol, bsol, cn1, cn2, phase, pk, pn, &
| ^
note: 'pn.dim[0].ubound' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_integrate_potential.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_integrate_potential.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_derivatives.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F hfx_derivatives.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:33 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_derivatives.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_derivatives.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_vxc_atom.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_energy_potential.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_pw_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ri_environment_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lri_environment_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_ks_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:33 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_ks_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' lri_ks_methods.F90
-/build/reproducible-path/cp2k-2024.2/src/xtb_coulomb.F:325:13:
-
- 325 | IF (do_ewald) THEN
- | ^
-Warning: 'do_ewald' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xtb_coulomb.F:122:77:
-
- 122 | LOGICAL :: defined, do_ewald, do_gamma_stress, &
- | ^
-note: 'do_ewald' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_ddapc_util.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_ddapc_util.F cp_ddapc_util.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'se_fock_matrix_dbg.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:33 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:34 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_dbg.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dftb_coulomb.F90
/build/reproducible-path/cp2k-2024.2/src/xas_tdp_integrals.F:485:76:
485 | !$OMP ncob,ncoc,sgfb,sgfc,egfb,egfc,sabc_ext,cpp_buffer,ccp_buffer)
@@ -58536,338 +58324,566 @@
298 | REAL(dp) :: dij, dik, djk, my_eps_screen, ri(3), &
| ^
note: 'my_eps_screen' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xtb_coulomb.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xtb_coulomb.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'admm_dm_methods.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_pw_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_energy_potential.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F hfx_energy_potential.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tensors.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_energy_potential.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tensors.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_derivatives.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ks_atom.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dft_plus_u.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'se_fock_matrix_dbg.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/se_fock_matrix_dbg.F se_fock_matrix_dbg.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_ddapc_util.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_dbg.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' se_fock_matrix_dbg.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_block_davidson.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_energy_window.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_ml_descriptor.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'population_analyses.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kg_environment.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'stm_images.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="\"Tue Apr 1 03:42:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_ddapc_util.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_elec_field.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_elf_methods.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_spin_orbit.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fermi_contact.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_xas.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_core_hamiltonian.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_efield_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mao_optimizer.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mao_optimizer.F mao_optimizer.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_loc_dipole.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_energy_window.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_resp.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="\"Tue Apr 1 03:42:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_optimizer.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mao_optimizer.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'stm_images.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_core_hamiltonian.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_elf_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_external_potential.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'population_analyses.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kg_environment.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/kg_environment.F kg_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 May 3 07:31:34 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_optimizer.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mao_optimizer.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:34 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kg_environment.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'se_core_matrix.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'molecular_states.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dftb_dispersion.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'molecular_dipoles.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_env_methods.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_resp.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_xas.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'se_core_matrix.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dispersion_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dftb_dispersion.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_ml_descriptor.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_external_potential.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'molecular_dipoles.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fb_env_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'molecular_states.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_loc_dipole.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_ri_libint.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:34 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_libint.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_ri_libint.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_optimize_ri_basis.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/lri_optimize_ri_basis.F lri_optimize_ri_basis.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'bse_iterative.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'et_coupling_proj.mod' due to: target does not exist
true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' lri_optimize_ri_basis.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_kernel_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_kernel_types.F qs_kernel_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:34 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' lri_optimize_ri_basis.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kernel_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_kernel_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_tdp_integrals.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'optbas_opt_utils.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:35 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kernel_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_kernel_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'library_tests.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmmx_types.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_xc.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'force_fields_input.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_amber.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_efield_methods.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dispersion_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dftb_coulomb.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_integrate_potential.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ot.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_integrate_potential.mod' due to: target does not exist
-true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'lri_ks_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/lri_ks_methods.F lri_ks_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_rho_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:35 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_rho_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lri_ks_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="\"Tue Apr 1 03:42:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_ks_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' lri_ks_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dftb_coulomb.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_rho0_ggrid.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_rho0_ggrid.F 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="\"Tue Apr 1 03:42:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_rho_methods.F90
+/build/reproducible-path/cp2k-2024.2/src/xtb_coulomb.F:325:13:
+
+ 325 | IF (do_ewald) THEN
+ | ^
+Warning: 'do_ewald' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_ggrid.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_rho0_ggrid.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'se_fock_matrix_dbg.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mao_optimizer.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_dft.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_dft.F input_cp2k_dft.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ec_environment.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:35 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_dft.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:35 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ec_environment.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_eri_gpw.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mp2_eri_gpw.F 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="\"Sun May 3 07:31:35 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri_gpw.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_eri_gpw.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_kernel_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_tdp_integrals.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_init.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_init.F qmmm_init.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:36 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_init.F90
-/build/reproducible-path/cp2k-2024.2/src/input_cp2k_dft.F:1245:34:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_dft.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_dft.F90
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:972:94:
- 1245 | SUBROUTINE create_rigpw_section(section)
- | ^
-Warning: 'create_rigpw_section' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+ 972 | memory_parameter%actual_memory_usage_disk, .TRUE.)
+ | ^
+Warning: 'maxval_cache_disk' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:219:91:
- 1227 | IF (screen_pmat_forces) THEN
+ 219 | TYPE(hfx_cache_type), POINTER :: maxval_cache, maxval_cache_disk
+ | ^
+note: 'maxval_cache_disk' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:972:94:
+
+ 972 | memory_parameter%actual_memory_usage_disk, .TRUE.)
+ | ^
+Warning: 'maxval_container_disk' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:222:99:
+
+ 222 | TYPE(hfx_container_type), POINTER :: maxval_container, maxval_container_disk
+ | ^
+note: 'maxval_container_disk' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:975:97:
+
+ 975 | memory_parameter%actual_memory_usage_disk, .TRUE.)
+ | ^
+Warning: 'integral_containers_disk.data' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:221:84:
+
+ 221 | integral_containers_disk
+ | ^
+note: 'integral_containers_disk.data' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:975:97:
+
+ 975 | memory_parameter%actual_memory_usage_disk, .TRUE.)
+ | ^
+Warning: 'integral_containers_disk.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:221:84:
+
+ 221 | integral_containers_disk
+ | ^
+note: 'integral_containers_disk.offset' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:975:97:
+
+ 975 | memory_parameter%actual_memory_usage_disk, .TRUE.)
+ | ^
+Warning: 'integral_containers_disk.span' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:221:84:
+
+ 221 | integral_containers_disk
+ | ^
+note: 'integral_containers_disk.span' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:975:97:
+
+ 975 | memory_parameter%actual_memory_usage_disk, .TRUE.)
+ | ^
+Warning: 'integral_containers_disk.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:221:84:
+
+ 221 | integral_containers_disk
+ | ^
+note: 'integral_containers_disk.dim[0].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:975:97:
+
+ 975 | memory_parameter%actual_memory_usage_disk, .TRUE.)
+ | ^
+Warning: 'integral_caches_disk.data' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:218:97:
+
+ 218 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches, integral_caches_disk
+ | ^
+note: 'integral_caches_disk.data' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1466:50:
+
+ 1466 | use_disk_storage)
+ | ^
+Warning: 'maxval_cache' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:219:72:
+
+ 219 | TYPE(hfx_cache_type), POINTER :: maxval_cache, maxval_cache_disk
+ | ^
+note: 'maxval_cache' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1466:50:
+
+ 1466 | use_disk_storage)
+ | ^
+Warning: 'maxval_container' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:222:76:
+
+ 222 | TYPE(hfx_container_type), POINTER :: maxval_container, maxval_container_disk
+ | ^
+note: 'maxval_container' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1492:83:
+
+ 1492 | use_disk_storage)
+ | ^
+Warning: 'integral_caches.data' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:218:75:
+
+ 218 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches, integral_caches_disk
+ | ^
+note: 'integral_caches.data' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1492:83:
+
+ 1492 | use_disk_storage)
+ | ^
+Warning: 'integral_caches.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:218:75:
+
+ 218 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches, integral_caches_disk
+ | ^
+note: 'integral_caches.offset' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1492:83:
+
+ 1492 | use_disk_storage)
+ | ^
+Warning: 'integral_caches.span' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:218:75:
+
+ 218 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches, integral_caches_disk
+ | ^
+note: 'integral_caches.span' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1492:83:
+
+ 1492 | use_disk_storage)
+ | ^
+Warning: 'integral_caches.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:218:75:
+
+ 218 | TYPE(hfx_cache_type), DIMENSION(:), POINTER :: integral_caches, integral_caches_disk
+ | ^
+note: 'integral_caches.dim[0].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1492:83:
+
+ 1492 | use_disk_storage)
+ | ^
+Warning: 'integral_containers.data' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:220:79:
+
+ 220 | TYPE(hfx_container_type), DIMENSION(:), POINTER :: integral_containers, &
+ | ^
+note: 'integral_containers.data' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1492:83:
+
+ 1492 | use_disk_storage)
+ | ^
+Warning: 'integral_containers.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:220:79:
+
+ 220 | TYPE(hfx_container_type), DIMENSION(:), POINTER :: integral_containers, &
+ | ^
+note: 'integral_containers.offset' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1492:83:
+
+ 1492 | use_disk_storage)
+ | ^
+Warning: 'integral_containers.span' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:220:79:
+
+ 220 | TYPE(hfx_container_type), DIMENSION(:), POINTER :: integral_containers, &
+ | ^
+note: 'integral_containers.span' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1492:83:
+
+ 1492 | use_disk_storage)
+ | ^
+Warning: 'integral_containers.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:220:79:
+
+ 220 | TYPE(hfx_container_type), DIMENSION(:), POINTER :: integral_containers, &
+ | ^
+note: 'integral_containers.dim[0].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
+
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'swap_id' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:143:46:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:166:68:
- 143 | sphi_d_u2, sphi_d_u3, swap_id, tmp_i4, unit_id
- | ^
+ 166 | sphi_c_u3, sphi_d_u1, sphi_d_u2, sphi_d_u3, swap_id, tmp_i4, unit_id
+ | ^
note: 'swap_id' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'MEM[(void * *)&ptr_p_1]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:68:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:82:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
+ 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
+ | ^
note: 'MEM[(void * *)&ptr_p_1]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_1 + 8B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:68:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:82:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
+ 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_1 + 8B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_1 + 32B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:68:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:82:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
+ 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_1 + 32B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
-Warning: 'MEM[(integer(kind=8) *)&ptr_p_1 + 40B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:68:
+Warning: 'ptr_p_1.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:82:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
-note: 'MEM[(integer(kind=8) *)&ptr_p_1 + 40B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+ 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
+ | ^
+note: 'ptr_p_1.dim[0].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_1 + 64B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:68:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:82:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
+ 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_1 + 64B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'MEM[(void * *)&ptr_p_2]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:77:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:91:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
+ 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
+ | ^
note: 'MEM[(void * *)&ptr_p_2]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_2 + 8B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:77:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:91:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
+ 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_2 + 8B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_2 + 32B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:77:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:91:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
+ 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_2 + 32B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
-Warning: 'MEM[(integer(kind=8) *)&ptr_p_2 + 40B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:77:
+Warning: 'ptr_p_2.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:91:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
-note: 'MEM[(integer(kind=8) *)&ptr_p_2 + 40B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+ 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
+ | ^
+note: 'ptr_p_2.dim[0].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_2 + 64B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:77:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:91:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
+ 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_2 + 64B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'MEM[(void * *)&ptr_p_3]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:86:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:100:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
+ 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
+ | ^
note: 'MEM[(void * *)&ptr_p_3]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_3 + 8B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:86:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:100:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
+ 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_3 + 8B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_3 + 32B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:86:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:100:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
+ 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_3 + 32B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
-Warning: 'MEM[(integer(kind=8) *)&ptr_p_3 + 40B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:86:
+Warning: 'ptr_p_3.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:100:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
-note: 'MEM[(integer(kind=8) *)&ptr_p_3 + 40B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+ 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
+ | ^
+note: 'ptr_p_3.dim[0].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_3 + 64B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:86:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:100:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
+ 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_3 + 64B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'MEM[(void * *)&ptr_p_4]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:95:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:109:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
+ 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
+ | ^
note: 'MEM[(void * *)&ptr_p_4]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_4 + 8B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:95:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:109:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
+ 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 + 8B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_4 + 32B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:95:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:109:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
+ 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 + 32B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
-Warning: 'MEM[(integer(kind=8) *)&ptr_p_4 + 40B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:95:
+Warning: 'ptr_p_4.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:109:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
-note: 'MEM[(integer(kind=8) *)&ptr_p_4 + 40B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1227:28:
+ 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
+ | ^
+note: 'ptr_p_4.dim[0].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:1441:28:
- 1227 | IF (screen_pmat_forces) THEN
+ 1441 | IF (do_p_screening) THEN
| ^
Warning: 'MEM[(integer(kind=8) *)&ptr_p_4 + 64B]' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:179:95:
+/build/reproducible-path/cp2k-2024.2/src/hfx_energy_potential.F:203:109:
- 179 | max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, shm_pmax_block, &
- | ^
+ 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, &
+ | ^
note: 'MEM[(integer(kind=8) *)&ptr_p_4 + 64B]' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:1472:44:
-
- 1472 | IF (use_virial .AND. spherical_estimate_virial*pmax_entry >= eps_schwarz) THEN
- | ^
-Warning: 'spherical_estimate_virial' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_derivatives.F:168:90:
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_init.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_init.F qmmm_init.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_init.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_force.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_force.F fist_force.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mao_optimizer.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_force.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lri_optimize_ri_basis.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_eri_gpw.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mp2_eri_gpw.F 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="\"Tue Apr 1 03:42:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri_gpw.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_eri_gpw.F90
+/build/reproducible-path/cp2k-2024.2/src/input_cp2k_dft.F:1245:34:
- 168 | rb(3), rc(3), rcd2, rd(3), spherical_estimate, spherical_estimate_virial, symm_fac, &
- | ^
-note: 'spherical_estimate_virial' was declared here
+ 1245 | SUBROUTINE create_rigpw_section(section)
+ | ^
+Warning: 'create_rigpw_section' defined but not used [-Wunused-function]
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_kernel_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'force_env_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:36 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' force_env_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_operators.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' force_env_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_electronic_structure.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_electronic_structure.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_electronic_structure.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_psf.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_psf.F 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="\"Sun May 3 07:31:36 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_psf.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_psf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_psf.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'force_fields_ext.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:37 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_ext.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' force_fields_ext.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/atom_electronic_structure.F:454:66:
+
+ 454 | need_x, need_xc
+ | ^
+note: 'need_x' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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="\"Tue Apr 1 03:42:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_ext.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' force_fields_ext.F90
/build/reproducible-path/cp2k-2024.2/src/topology_psf.F:780:81:
780 | extension=".psf", my_local=.FALSE.)
@@ -58883,82 +58899,15 @@
716 | INTEGER :: iforce_eval, main_force_eval
| ^
note: 'main_force_eval' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_force.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_force.F fist_force.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:37 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' fist_force.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xtb_coulomb.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_operators.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ot_minimizer.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ot_minimizer.F 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 May 3 07:31:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_minimizer.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ot_minimizer.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ec_environment.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ec_environment.F ec_environment.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_image_charge.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_image_charge.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_image_charge.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_rho0_ggrid.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_rho0_ggrid.F 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 May 3 07:31:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_ggrid.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_rho0_ggrid.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tensors.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_rho_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_ddapc_util.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'se_fock_matrix.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' se_fock_matrix.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kg_correction.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_correction.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kg_correction.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_wf_history_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_wf_history_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mao_wfn_analysis.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mao_wfn_analysis.F mao_wfn_analysis.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mao_wfn_analysis.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mao_basis.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mao_basis.F mao_basis.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_basis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mao_basis.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_update_s_mstruct.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_update_s_mstruct.F qs_update_s_mstruct.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:39 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_update_s_mstruct.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_update_s_mstruct.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kg_environment.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_restart.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:39 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_restart.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_restart.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_dft.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ec_environment.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xtb_ehess.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xtb_ehess.F 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 May 3 07:31:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xtb_ehess.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xtb_ehess_force.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xtb_ehess_force.F xtb_ehess_force.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fxc.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xtb_ehess_force.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_eri_gpw.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_im_time_force_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rpa_im_time_force_types.F rpa_im_time_force_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_gw_im_time_util.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rpa_gw_im_time_util.F 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 May 3 07:31:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fxc.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time_force_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_im_time_force_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_im_time_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_gw_im_time_util.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_ri_libint.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'lri_optimize_ri_basis.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_tdp_atom.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xas_tdp_atom.F xas_tdp_atom.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dcdr_ao.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr_ao.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_atom.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_image_charge.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_image_charge.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ot_minimizer.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ot_minimizer.F 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="\"Tue Apr 1 03:42:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_minimizer.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ot_minimizer.F90
/build/reproducible-path/cp2k-2024.2/src/mp2_eri.F:521:93:
521 | hab_uncontr_d(ico, jcoz)]
@@ -59149,11 +59098,81 @@
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-2024.2/Makefile:560: update target 'lri_ks_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_rho_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xtb_coulomb.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_rho0_ggrid.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'se_fock_matrix.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/se_fock_matrix.F se_fock_matrix.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_ddapc_util.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/atom_electronic_structure.F:137:66:
+
+ 137 | need_x, need_xc, need_zmp
+ | ^
+note: 'need_x' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/atom_electronic_structure.F:137:75:
+
+ 137 | need_x, need_xc, need_zmp
+ | ^
+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="\"Tue Apr 1 03:42:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' se_fock_matrix.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_wf_history_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_wf_history_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_dft.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_update_s_mstruct.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_update_s_mstruct.F qs_update_s_mstruct.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_init.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_properties_dft.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_properties_dft.F input_cp2k_properties_dft.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_properties_dft.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_properties_dft.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_update_s_mstruct.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_update_s_mstruct.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_force.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_fxc.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fxc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_fxc.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xtb_ehess.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xtb_ehess.F 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="\"Tue Apr 1 03:42:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xtb_ehess.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xtb_ehess_force.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xtb_ehess_force.F xtb_ehess_force.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xtb_ehess_force.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mao_basis.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mao_basis.F mao_basis.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_basis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mao_basis.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mao_wfn_analysis.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mao_wfn_analysis.F mao_wfn_analysis.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:24 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mao_wfn_analysis.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_restart.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_restart.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_restart.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_eri.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_eri_gpw.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_subgroups.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_subgroups.F qs_tddfpt2_subgroups.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_subgroups.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_subgroups.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_tdp_atom.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xas_tdp_atom.F xas_tdp_atom.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dcdr_ao.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_atom.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_tdp_atom.F90
/build/reproducible-path/cp2k-2024.2/src/xtb_ehess.F:231:13:
231 | IF (do_ewald) THEN
@@ -59164,100 +59183,119 @@
90 | LOGICAL :: defined, do_ewald, found
| ^
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="\"Tue Apr 1 03:42:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr_ao.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dcdr_ao.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_properties_dft.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_properties_dft.F input_cp2k_properties_dft.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_properties_dft.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_properties_dft.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_admm_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_admm_methods.F atom_admm_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_grb.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_grb.F atom_grb.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_admm_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_admm_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_admm_methods.F90
+/build/reproducible-path/cp2k-2024.2/src/xtb_ehess_force.F:298:13:
+
+ 298 | IF (do_ewald) THEN
+ | ^
+Warning: 'do_ewald' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xtb_ehess_force.F:103:95:
+
+ 103 | LOGICAL :: calculate_forces, defined, do_ewald, &
+ | ^
+note: 'do_ewald' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'force_env_types.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_electronic_structure.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_psf.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_grb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_grb.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'force_fields_ext.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'constraint_fxd.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F constraint_fxd.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_fxd.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' constraint_fxd.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ec_environment.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_image_charge.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ot_minimizer.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'kg_correction.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_correction.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' kg_correction.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'efield_tb_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/efield_tb_methods.F 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="\"Tue Apr 1 03:42:26 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_tb_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' efield_tb_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_energy_potential.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_vxc_atom.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_gapw_densities.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_gapw_densities.F qs_gapw_densities.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'se_fock_matrix.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'grrm_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/grrm_utils.F grrm_utils.F90
-/build/reproducible-path/cp2k-2024.2/src/xtb_ehess_force.F:298:13:
+/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:143:78:
- 298 | IF (do_ewald) THEN
- | ^
-Warning: 'do_ewald' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xtb_ehess_force.F:103:95:
+ 143 | force(:, iparticle) = core_particle_set(shell_index)%f(:)
+ | ^
+Warning: 'core_particle_set.data' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:84:77:
- 103 | LOGICAL :: calculate_forces, defined, do_ewald, &
- | ^
-note: 'do_ewald' was declared here
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grrm_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' grrm_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'scine_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/scine_utils.F scine_utils.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scine_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' scine_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_force.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_util.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_util.F90
-/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:765:69:
+ 84 | TYPE(particle_type), DIMENSION(:), POINTER :: core_particle_set, particle_set, &
+ | ^
+note: 'core_particle_set.data' was declared here
+/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:143:78:
- 765 | WRITE (iunit, "(40I3)") nval, lmin, lmax, nprim, (nbas(l), l=lmin, lmax)
- | ^
-Warning: 'lmin' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:734:79:
+ 143 | force(:, iparticle) = core_particle_set(shell_index)%f(:)
+ | ^
+Warning: 'core_particle_set.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:84:77:
- 734 | INTEGER :: i, j, l, lmax, lmin, nval
- | ^
-note: 'lmin' declared here
-/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:763:23:
+ 84 | TYPE(particle_type), DIMENSION(:), POINTER :: core_particle_set, particle_set, &
+ | ^
+note: 'core_particle_set.offset' was declared here
+/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:143:78:
- 763 | nval = lmax
- | ^
-Warning: 'lmax' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:734:73:
+ 143 | force(:, iparticle) = core_particle_set(shell_index)%f(:)
+ | ^
+Warning: 'core_particle_set.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:84:77:
- 734 | INTEGER :: i, j, l, lmax, lmin, nval
- | ^
-note: 'lmax' declared here
-/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:763:23:
+ 84 | TYPE(particle_type), DIMENSION(:), POINTER :: core_particle_set, particle_set, &
+ | ^
+note: 'core_particle_set.dim[0].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:144:89:
- 763 | nval = lmax
- | ^
-Warning: 'lmax' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:734:73:
+ 144 | force(:, natom + shell_index) = shell_particle_set(shell_index)%f(:)
+ | ^
+Warning: 'shell_particle_set.data' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:85:78:
- 734 | INTEGER :: i, j, l, lmax, lmin, nval
- | ^
-note: 'lmax' declared here
-/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:765:69:
+ 85 | shell_particle_set
+ | ^
+note: 'shell_particle_set.data' was declared here
+/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:144:89:
- 765 | WRITE (iunit, "(40I3)") nval, lmin, lmax, nprim, (nbas(l), l=lmin, lmax)
- | ^
-Warning: 'lmin' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:734:79:
+ 144 | force(:, natom + shell_index) = shell_particle_set(shell_index)%f(:)
+ | ^
+Warning: 'shell_particle_set.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:85:78:
- 734 | INTEGER :: i, j, l, lmax, lmin, nval
- | ^
-note: 'lmin' declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'efield_tb_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/efield_tb_methods.F efield_tb_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_fit.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_fit.F 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 May 3 07:31:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_tb_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_fit.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_fit.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ot_minimizer.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_image_charge.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_rho0_ggrid.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_derivatives.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_gapw_densities.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gapw_densities.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_gapw_densities.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_ri.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_ri.F hfx_ri.F90
+ 85 | shell_particle_set
+ | ^
+note: 'shell_particle_set.offset' was declared here
+/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:144:89:
+
+ 144 | force(:, natom + shell_index) = shell_particle_set(shell_index)%f(:)
+ | ^
+Warning: 'shell_particle_set.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:85:78:
+
+ 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="\"Tue Apr 1 03:42:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gapw_densities.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_gapw_densities.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_ddapc.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_ddapc.F cp_ddapc.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_wf_history_methods.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/atom_admm_methods.F:213:19:
213 | IF (rhf) THEN
@@ -59268,85 +59306,80 @@
69 | LOGICAL :: pp_calc, rhf
| ^
note: 'rhf' 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 May 3 07:31:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_ddapc.F90
-/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:264:17:
-
- 264 | CPASSERT(fhomo > ABS(dene))
- | ^
-Warning: 'fhomo' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:94:72:
-
- 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-2024.2/Makefile:560: update target 'se_fock_matrix.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kg_correction.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_wf_history_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mao_basis.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_update_s_mstruct.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_util.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_ddapc.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'metadynamics_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/metadynamics_utils.F metadynamics_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mixed_cdft_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:42:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mixed_cdft_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'optimize_embedding_potential.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/optimize_embedding_potential.F optimize_embedding_potential.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_restart.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'motion_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion_utils.F 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="\"Sun May 3 07:31:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_embedding_potential.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' optimize_embedding_potential.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' motion_utils.F90
-/build/reproducible-path/cp2k-2024.2/src/atom_fit.F:1855:21:
-
- 1855 | END FUNCTION rcpro
- | ^
-Warning: 'yval' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/atom_fit.F:1838:40:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_embedding_potential.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' optimize_embedding_potential.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'grrm_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/grrm_utils.F grrm_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'constraint_vsite.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/constraint_vsite.F constraint_vsite.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grrm_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_vsite.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' constraint_vsite.F90
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_utils.F:975:69:
- 1838 | FUNCTION rcpro(id, xval) RESULT(yval)
- | ^
-note: 'yval' was declared here
+ 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-2024.2/Makefile:560: update target 'qs_fxc.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xtb_ehess.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'motion_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion_utils.F 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="\"Tue Apr 1 03:42:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' motion_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xtb_ehess_force.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_fxc.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_gpw_method.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw_method.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_gpw_method.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'rpa_gw_im_time_util.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mao_basis.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_eri.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_restart.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_direct_method.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mp2_direct_method.F mp2_direct_method.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'minbas_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' minbas_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ot_scf.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_direct_method.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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 May 3 07:31:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ot_scf.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'post_scf_bandstructure_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/post_scf_bandstructure_utils.F post_scf_bandstructure_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_subgroups.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_subgroups.F qs_tddfpt2_subgroups.F90
-/build/reproducible-path/cp2k-2024.2/src/xas_tdp_atom.F:1150:63:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ot_scf.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_ri_libint.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mp2_ri_libint.F mp2_ri_libint.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_ri_grad.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mp2_ri_grad.F mp2_ri_grad.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_gpw_method.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_libint.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:42:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:42:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw_method.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_gpw_method.F90
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_utils.F:1569:37:
- 1150 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: dso
- | ^
-Warning: 'dso.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized]
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:46 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_subgroups.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_subgroups.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' post_scf_bandstructure_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dcdr_ao.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mixed_cdft_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mixed_cdft_utils.F mixed_cdft_utils.F90
+ 1569 | bounds = bounds - (n3/2) - 1
+ | ^
+Warning: 'ub' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_utils.F:1523:77:
+
+ 1523 | nzeroed_total, ub
+ | ^
+note: 'ub' was declared here
+/build/reproducible-path/cp2k-2024.2/src/minbas_methods.F:171:14:
+
+ 171 | ELSEIF (nmo /= nmx) THEN
+ | ^
+Warning: 'nmx' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/minbas_methods.F:87:80:
+
+ 87 | ndep, nmao, nmo, nmx, np, np1, nspin, &
+ | ^
+note: 'nmx' declared here
/build/reproducible-path/cp2k-2024.2/src/optimize_embedding_potential.F:1884:32:
1884 | SUBROUTINE inv_Hessian_update(grad, prev_grad, step, prev_inv_Hess, inv_Hess)
@@ -59357,64 +59390,28 @@
1991 | SUBROUTINE Hessian_update(grad, prev_grad, step, prev_Hess, Hess)
| ^
Warning: 'hessian_update' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:304:94:
-
- 304 | my_I_occupied_end = my_I_occupied_start + vector_batch_I_size_group(i_group_counter) - 1
- | ^
-Warning: 'i_group_counter' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:130:56:
-
- 130 | handle2, handle3, i, i_counter, i_group_counter, index_proc_shift, ispin, j, max_b_size, &
- | ^
-note: 'i_group_counter' was declared here
-/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:350:68:
-
- 350 | sub_sub_color = color_array(para_env_sub%mepos, my_q_position)
- | ^
-Warning: 'my_q_position' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:133:62:
-
- 133 | my_I_occupied_end, my_I_occupied_start, my_q_position, ncol_local, nfullcols_total, &
- | ^
-note: 'my_q_position' was declared here
-/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:149:65:
-
- 149 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send
- | ^
-Warning: 'bib_c.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:380:36:
-
- 380 | IF (calc_ex) BIb_C = 0.0_dp
- | ^
-Warning: 'bib_c.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:149:65:
-
- 149 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send
- | ^
-note: 'bib_c.dim[0].ubound' was declared here
-/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:149:65: Warning: 'bib_c.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:380:36:
-
- 380 | IF (calc_ex) BIb_C = 0.0_dp
- | ^
-Warning: 'bib_c.dim[1].ubound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:149:65:
-
- 149 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send
- | ^
-note: 'bib_c.dim[1].ubound' was declared here
-/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:149:65: Warning: 'bib_c.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:380:36:
-
- 380 | IF (calc_ex) BIb_C = 0.0_dp
- | ^
-Warning: 'bib_c.dim[2].ubound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:149:65:
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_subgroups.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dcdr_ao.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'scine_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/scine_utils.F scine_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'external_potential_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/external_potential_methods.F 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="\"Tue Apr 1 03:42:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scine_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"external_potential_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' external_potential_methods.F90
+/build/reproducible-path/cp2k-2024.2/src/xas_tdp_atom.F:1150:63:
- 149 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send
- | ^
-note: 'bib_c.dim[2].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 May 3 07:31:46 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mixed_cdft_utils.F90
+ 1150 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: dso
+ | ^
+Warning: 'dso.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_properties_dft.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'environment.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:30 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' environment.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_restart_force_eval.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_restart_force_eval.F input_restart_force_eval.F90
/build/reproducible-path/cp2k-2024.2/src/xas_tdp_atom.F:1338:68:
1338 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: co, dsgf, pos
@@ -59452,185 +59449,9 @@
| ^
note: 'dsgf.dim[1].ubound' was declared here
/build/reproducible-path/cp2k-2024.2/src/xas_tdp_atom.F:1338:68: Warning: 'dsgf.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'external_potential_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/external_potential_methods.F 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 May 3 07:31:46 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"external_potential_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' external_potential_methods.F90
-/build/reproducible-path/cp2k-2024.2/src/atom_fit.F:182:64:
-
- 182 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: xtob
- | ^
-Warning: 'xtob.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_direct_method.F:1344:57:
-
- 1344 | BIb_RS_mat_rec(1:dimen, 1:Rsize_rec)
- | ^
-Warning: 'r_offset_rec' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_direct_method.F:1253:93:
-
- 1253 | index_proc_shift, j, n, proc_receive, proc_send, r, R_global, R_offset, R_offset_rec, &
- | ^
-note: 'r_offset_rec' was declared here
-/build/reproducible-path/cp2k-2024.2/src/mp2_direct_method.F:1344:57:
-
- 1344 | BIb_RS_mat_rec(1:dimen, 1:Rsize_rec)
- | ^
-Warning: 'rsize_rec' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_direct_method.F:1254:27:
-
- 1254 | R_start, Rsize_rec, s, S_global, S_offset, S_offset_rec, Ssize_rec
- | ^
-note: 'rsize_rec' was declared here
-/build/reproducible-path/cp2k-2024.2/src/mp2_direct_method.F:1254:64:
-
- 1254 | R_start, Rsize_rec, s, S_global, S_offset, S_offset_rec, Ssize_rec
- | ^
-Warning: 's_offset_rec' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_direct_method.F:1348:81:
-
- 1348 | BIb_RS_mat_rec(1:dimen, Rsize_rec + 1:Rsize_rec + Ssize_rec)
- | ^
-Warning: 'ssize_rec' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_direct_method.F:1254:75:
-
- 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-2024.2/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-2024.2/src/post_scf_bandstructure_utils.F:2131:40:
-
- 2131 | elements(i_kind) = atom_name
- | 1
-Warning: CHARACTER expression will be truncated in assignment (3/80) at (1) [-Wcharacter-truncation]
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'constraint_vsite.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/constraint_vsite.F constraint_vsite.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_vsite.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' constraint_vsite.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'environment.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' environment.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'metadynamics_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/metadynamics_utils.F 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 May 3 07:31:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' metadynamics_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_properties_dft.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_restart_force_eval.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:48 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_force_eval.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_restart_force_eval.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:513: update target 'thermal_region_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:48 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' thermal_region_utils.F90
-/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_utils.F:1569:37:
-
- 1569 | bounds = bounds - (n3/2) - 1
- | ^
-Warning: 'ub' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_utils.F:1523:77:
-
- 1523 | nzeroed_total, ub
- | ^
-note: 'ub' was declared here
-/build/reproducible-path/cp2k-2024.2/src/post_scf_bandstructure_utils.F:2514:41:
-
- 2514 | ALLOCATE (atom_from_bf_index(n_bf))
- | ^
-Warning: 'n_bf' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/post_scf_bandstructure_utils.F:2490:94:
-
- 2490 | j_bf, jatom, jatom_old, jcol, n_bf, &
- | ^
-note: 'n_bf' declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_grb.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_admm_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mc_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/mc/mc_types.F mc_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/mc/' mc_types.F90
-/build/reproducible-path/cp2k-2024.2/src/post_scf_bandstructure_utils.F:2390:35:
-
- 2390 | ALLOCATE (atom_from_bf(n_bf))
- | ^
-Warning: 'n_bf' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/post_scf_bandstructure_utils.F:2356:40:
-
- 2356 | 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-2024.2/src/post_scf_bandstructure_utils.F:2447:76:
-
- 2447 | 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-2024.2/src/post_scf_bandstructure_utils.F:2355:78:
-
- 2355 | 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
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_force_eval.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_restart_force_eval.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cell_opt_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' cell_opt_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'neb_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/neb_types.F neb_types.F90
-/build/reproducible-path/cp2k-2024.2/src/post_scf_bandstructure_utils.F:2240:19:
-
- 2240 | IF (i_kind .NE. kind_of(i_atom)) THEN
- | ^
-Warning: 'i_atom' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/post_scf_bandstructure_utils.F:2188:74:
-
- 2188 | 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="\"Sun May 3 07:31:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' neb_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'constraint_fxd.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_fxd.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' constraint_fxd.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'force_fields.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/force_fields.F force_fields.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' force_fields.F90
/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_utils.F:1130:70:
1130 | ALLOCATE (mixed_cdft%matrix%mixed_mo_coeff(nforce_eval, nspins))
@@ -59707,129 +59528,205 @@
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-2024.2/src/mp2_direct_method.F:159:53:
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'thermal_region_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' cell_opt_types.F90
+/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:304:94:
- 159 | number_i_subset = number_groups/number_j_subset
- | ^
-Warning: 'number_j_subset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_direct_method.F:101:41:
+ 304 | my_I_occupied_end = my_I_occupied_start + vector_batch_I_size_group(i_group_counter) - 1
+ | ^
+Warning: 'i_group_counter' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:130:56:
- 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-2024.2/Makefile:560: update target 'grrm_utils.mod' due to: target does not exist
+ 130 | handle2, handle3, i, i_counter, i_group_counter, index_proc_shift, ispin, j, max_b_size, &
+ | ^
+note: 'i_group_counter' was declared here
+/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:350:68:
+
+ 350 | sub_sub_color = color_array(para_env_sub%mepos, my_q_position)
+ | ^
+Warning: 'my_q_position' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:133:62:
+
+ 133 | my_I_occupied_end, my_I_occupied_start, my_q_position, ncol_local, nfullcols_total, &
+ | ^
+note: 'my_q_position' was declared here
+/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:149:65:
+
+ 149 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send
+ | ^
+Warning: 'bib_c.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:380:36:
+
+ 380 | IF (calc_ex) BIb_C = 0.0_dp
+ | ^
+Warning: 'bib_c.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:149:65:
+
+ 149 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send
+ | ^
+note: 'bib_c.dim[0].ubound' was declared here
+/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:149:65: Warning: 'bib_c.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:380:36:
+
+ 380 | IF (calc_ex) BIb_C = 0.0_dp
+ | ^
+Warning: 'bib_c.dim[1].ubound' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:149:65:
+
+ 149 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send
+ | ^
+note: 'bib_c.dim[1].ubound' was declared here
+/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:149:65: Warning: 'bib_c.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:380:36:
+
+ 380 | IF (calc_ex) BIb_C = 0.0_dp
+ | ^
+Warning: 'bib_c.dim[2].ubound' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mp2_gpw_method.F:149:65:
+
+ 149 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send
+ | ^
+note: 'bib_c.dim[2].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="\"Tue Apr 1 03:42:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' thermal_region_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_grb.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_grb.F atom_grb.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_grb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_grb.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_admm_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'scine_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mc_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/mc/mc_types.F mc_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'neb_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/mc/' mc_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_fit.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_fit.F 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="\"Tue Apr 1 03:42:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' neb_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'constraint_fxd.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_util.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'force_fields.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/force_fields.F force_fields.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ot_eigensolver.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ot_eigensolver.F qs_ot_eigensolver.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'kg_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="\"Tue Apr 1 03:42:32 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_fit.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_fit.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'efield_tb_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_se_energy.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_energy.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_se_energy.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_se_forces.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_se_forces.F qmmm_se_forces.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_forces.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_se_forces.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_fit.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tensors.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ot_eigensolver.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ot_eigensolver.F 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="\"Sun May 3 07:31:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ot_eigensolver.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_adiabatic_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc_adiabatic_utils.F 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 May 3 07:31:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xc_adiabatic_utils.F90
-/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:143:78:
-
- 143 | force(:, iparticle) = core_particle_set(shell_index)%f(:)
- | ^
-Warning: 'core_particle_set.data' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:84:77:
-
- 84 | TYPE(particle_type), DIMENSION(:), POINTER :: core_particle_set, particle_set, &
- | ^
-note: 'core_particle_set.data' was declared here
-/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:143:78:
-
- 143 | force(:, iparticle) = core_particle_set(shell_index)%f(:)
- | ^
-Warning: 'core_particle_set.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:84:77:
-
- 84 | TYPE(particle_type), DIMENSION(:), POINTER :: core_particle_set, particle_set, &
- | ^
-note: 'core_particle_set.offset' was declared here
-/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:143:78:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xc_adiabatic_utils.F90
+/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:765:69:
- 143 | force(:, iparticle) = core_particle_set(shell_index)%f(:)
- | ^
-Warning: 'core_particle_set.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:84:77:
+ 765 | WRITE (iunit, "(40I3)") nval, lmin, lmax, nprim, (nbas(l), l=lmin, lmax)
+ | ^
+Warning: 'lmin' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:734:79:
- 84 | TYPE(particle_type), DIMENSION(:), POINTER :: core_particle_set, particle_set, &
- | ^
-note: 'core_particle_set.dim[0].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:144:89:
+ 734 | INTEGER :: i, j, l, lmax, lmin, nval
+ | ^
+note: 'lmin' declared here
+/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:763:23:
- 144 | force(:, natom + shell_index) = shell_particle_set(shell_index)%f(:)
- | ^
-Warning: 'shell_particle_set.data' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:85:78:
+ 763 | nval = lmax
+ | ^
+Warning: 'lmax' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:734:73:
- 85 | shell_particle_set
- | ^
-note: 'shell_particle_set.data' was declared here
-/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:144:89:
+ 734 | INTEGER :: i, j, l, lmax, lmin, nval
+ | ^
+note: 'lmax' declared here
+/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:763:23:
- 144 | force(:, natom + shell_index) = shell_particle_set(shell_index)%f(:)
- | ^
-Warning: 'shell_particle_set.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:85:78:
+ 763 | nval = lmax
+ | ^
+Warning: 'lmax' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:734:73:
- 85 | shell_particle_set
- | ^
-note: 'shell_particle_set.offset' was declared here
-/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:144:89:
+ 734 | INTEGER :: i, j, l, lmax, lmin, nval
+ | ^
+note: 'lmax' declared here
+/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:765:69:
- 144 | force(:, natom + shell_index) = shell_particle_set(shell_index)%f(:)
- | ^
-Warning: 'shell_particle_set.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/constraint_fxd.F:85:78:
+ 765 | WRITE (iunit, "(40I3)") nval, lmin, lmax, nprim, (nbas(l), l=lmin, lmax)
+ | ^
+Warning: 'lmin' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:734:79:
- 85 | shell_particle_set
- | ^
-note: 'shell_particle_set.dim[0].stride' was declared here
+ 734 | INTEGER :: i, j, l, lmax, lmin, nval
+ | ^
+note: 'lmin' declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_gapw_densities.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_ddapc.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xtb_matrices.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xtb_matrices.F 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 May 3 07:31:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_matrices.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xtb_matrices.F90
-/build/reproducible-path/cp2k-2024.2/src/xas_tdp_atom.F:425:58:
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:33 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_matrices.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xtb_matrices.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_util.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'metadynamics_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'optimize_embedding_potential.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'grrm_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'constraint_vsite.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'constraint_3x3.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/constraint_3x3.F constraint_3x3.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'constraint_4x6.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/constraint_4x6.F 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="\"Tue Apr 1 03:42:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_3x3.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' constraint_3x3.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_se_forces.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_se_forces.F qmmm_se_forces.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_4x6.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_forces.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_se_forces.F90
+/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:264:17:
- 425 | grid_atom%rad(1:new_nr) = grid_atom%rad(first_ir:nr)
- | ^
-Warning: 'first_ir' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/xas_tdp_atom.F:407:68:
+ 264 | CPASSERT(fhomo > ABS(dene))
+ | ^
+Warning: 'fhomo' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/atom_grb.F:94:72:
- 407 | INTEGER :: first_ir, ir, llmax_p1, na, new_nr, nr
- | ^
-note: 'first_ir' was declared here
+ 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-2024.2/Makefile:513: update target 'qmmm_se_energy.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_se_energy.F qmmm_se_energy.F90
+/build/reproducible-path/cp2k-2024.2/src/atom_fit.F:1855:21:
+
+ 1855 | END FUNCTION rcpro
+ | ^
+Warning: 'yval' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/atom_fit.F:1838:40:
+
+ 1838 | 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="\"Tue Apr 1 03:42:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_energy.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_se_energy.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'motion_utils.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mao_wfn_analysis.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'minbas_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' minbas_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'optimize_embedding_potential.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'minbas_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'motion_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ot_scf.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_gpw_method.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_ri_libint.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_im_time.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F 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="\"Sun May 3 07:31:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_im_time.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_ri_grad.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_im_time_force_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rpa_im_time_force_types.F rpa_im_time_force_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_gw_im_time_util.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rpa_gw_im_time_util.F 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="\"Tue Apr 1 03:42:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time_force_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_im_time_force_types.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_im_time_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_gw_im_time_util.F90
/build/reproducible-path/cp2k-2024.2/src/qmmm_se_forces.F:208:17:
208 | CPASSERT(iqm == number_qm_atoms)
@@ -59840,56 +59737,75 @@
89 | INTEGER :: handle, i, iatom, ikind, iqm, ispin, &
| ^
note: 'iqm' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_ri_grad.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_ri_grad.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_direct_method.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ot_scf.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'post_scf_bandstructure_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_subgroups.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_gpw_method.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_types.F 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="\"Tue Apr 1 03:42:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_types.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xc_pot_saop.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xc_pot_saop.F xc_pot_saop.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_densities.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_densities.F qs_tddfpt2_densities.F90
+/build/reproducible-path/cp2k-2024.2/src/xas_tdp_atom.F:425:58:
+
+ 425 | grid_atom%rad(1:new_nr) = grid_atom%rad(first_ir:nr)
+ | ^
+Warning: 'first_ir' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/xas_tdp_atom.F:407:68:
+
+ 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="\"Tue Apr 1 03:42:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_pot_saop.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_densities.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_densities.F90
+/build/reproducible-path/cp2k-2024.2/src/xtb_matrices.F:1914:89:
+
+ 1914 | 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-2024.2/src/xtb_matrices.F:1846:98:
+
+ 1846 | REAL(KIND=dp) :: dedf, dr, dx, energy_cutoff, err, fval, &
+ | ^
+note: 'fval' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_lri_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_lri_utils.F qs_tddfpt2_lri_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_kernel_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_pot_saop.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kernel_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_kernel_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'external_potential_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'constraint_vsite.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'environment.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="\"Tue Apr 1 03:42:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_lri_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kernel_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_kernel_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'scine_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'metadynamics_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'external_potential_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_force_eval.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/input_cp2k_force_eval.F input_cp2k_force_eval.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target '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="\"Tue Apr 1 03:42:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_force_eval.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' input_cp2k_force_eval.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'thermostat_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_force_eval.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Sun May 3 07:31:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' thermostat_utils.F90
-/build/reproducible-path/cp2k-2024.2/src/minbas_methods.F:171:14:
-
- 171 | ELSEIF (nmo /= nmx) THEN
- | ^
-Warning: 'nmx' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/minbas_methods.F:87:80:
-
- 87 | ndep, nmao, nmo, nmx, np, np1, nspin, &
- | ^
-note: 'nmx' declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_restart_force_eval.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/src/atom_fit.F:182:64:
+
+ 182 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: xtob
+ | ^
+Warning: 'xtob.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' thermostat_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cell_opt_types.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'thermal_region_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_pseudo.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_pseudo.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_pseudo.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_basis.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_basis.F atom_basis.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_grb.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mc_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'neb_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'colvar_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/colvar_methods.F colvar_methods.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' colvar_methods.F90
/build/reproducible-path/cp2k-2024.2/src/qs_kernel_methods.F:123:83:
123 | dbcsr_dist=dbcsr_dist, sab=sab_orb)
@@ -59900,130 +59816,55 @@
88 | TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_s, rho_ia_ao
| ^
note: 'matrix_s.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 May 3 07:31:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_basis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_basis.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_energy.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_energy.F atom_energy.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_energy.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_energy.F90
-/build/reproducible-path/cp2k-2024.2/src/xtb_matrices.F:1914:89:
-
- 1914 | 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-2024.2/src/xtb_matrices.F:1846:98:
-
- 1846 | REAL(KIND=dp) :: dedf, dr, dx, energy_cutoff, err, fval, &
- | ^
-note: 'fval' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mc_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cell_opt_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'neb_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'force_fields.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'constraint_fxd.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ot_eigensolver.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'force_fields.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dftb_matrices.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dftb_matrices.F qs_dftb_matrices.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_ri.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_ri.F 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="\"Tue Apr 1 03:42:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_matrices.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dftb_matrices.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_adiabatic_utils.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'admm_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/admm_methods.F admm_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmmx_util.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmmx_util.F 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="\"Sun May 3 07:31:53 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmmx_util.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dftb_matrices.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dftb_matrices.F 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 May 3 07:31:53 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_matrices.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dftb_matrices.F90
-/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:412:54:
-
- 412 | nze_M_occ = nze_M_occ + nze
- | ^
-Warning: 'nze_m_occ' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:182:99:
-
- 182 | INTEGER(int_8) :: nze, nze_dm_occ, nze_dm_virt, nze_M_occ, &
- | ^
-note: 'nze_m_occ' was declared here
-/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:457:56:
-
- 457 | nze_M_virt = nze_M_virt + nze
- | ^
-Warning: 'nze_m_virt' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:183:70:
-
- 183 | nze_M_virt, nze_O
- | ^
-note: 'nze_m_virt' was declared here
-/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:413:54:
-
- 413 | occ_M_occ = occ_M_occ + occ
- | ^
-Warning: 'occ_m_occ' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:194:99:
-
- 194 | REAL(dp) :: occ, occ_dm_occ, occ_dm_virt, occ_M_occ, &
- | ^
-note: 'occ_m_occ' was declared here
-/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:458:56:
-
- 458 | occ_M_virt = occ_M_virt + occ
- | ^
-Warning: 'occ_m_virt' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:195:70:
-
- 195 | occ_M_virt, occ_O, t1_flop
- | ^
-note: 'occ_m_virt' was declared here
-/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:375:52:
-
- 375 | nze_O = nze_O + nze
- | ^
-Warning: 'nze_o' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:183:77:
-
- 183 | nze_M_virt, nze_O
- | ^
-note: 'nze_o' was declared here
-/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:376:52:
-
- 376 | occ_O = occ_O + occ
- | ^
-Warning: 'occ_o' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:195:77:
-
- 195 | occ_M_virt, occ_O, t1_flop
- | ^
-note: 'occ_o' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_se_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="\"Tue Apr 1 03:42:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' admm_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mixed_cdft_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_se_forces.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'constraint_3x3.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_kind_orbitals.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_kind_orbitals.F atom_kind_orbitals.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_kind_orbitals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_kind_orbitals.F90
-/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/thermostat_utils.F:317:38:
-
- 317 | IF ((nmolecule == 1) .AND. (nkind == 1)) nointer = .FALSE.
- | ^
-Warning: 'nmolecule' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/thermostat_utils.F:246:83:
-
- 246 | last_atom, natom, natom_local, nkind, nmol_local, nmol_per_kind, nmolecule, nshell, &
- | ^
-note: 'nmolecule' declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ot_eigensolver.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'constraint_4x6.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_adiabatic_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_se_forces.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'admm_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/admm_methods.F 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 May 3 07:31:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' admm_methods.F90
-/build/reproducible-path/cp2k-2024.2/src/atom_energy.F:530:17:
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_se_energy.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_pdos.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_pdos.F qs_pdos.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'minbas_wfn_analysis.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/minbas_wfn_analysis.F minbas_wfn_analysis.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' minbas_wfn_analysis.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_pdos.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_pdos.F90
+/build/reproducible-path/cp2k-2024.2/src/colvar_methods.F:1277:70:
- 530 | CPASSERT(fhomo > ABS(dene))
- | ^
-Warning: 'fhomo' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/atom_energy.F:493:85:
+ 1277 | tag_comp = enum_i2c(enum, colvar%xyz_diag_param%component)
+ | 1
+Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation]
+/build/reproducible-path/cp2k-2024.2/src/colvar_methods.F:1287:80:
- 493 | REAL(KIND=dp) :: dene, emax, expzet, fhomo, o, prefac, &
- | ^
-note: 'fhomo' was declared here
+ 1287 | tag_comp1 = enum_i2c(enum, colvar%xyz_outerdiag_param%components(1))
+ | 1
+Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation]
+/build/reproducible-path/cp2k-2024.2/src/colvar_methods.F:1290:80:
+
+ 1290 | 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-2024.2/src/qmmmx_util.F:570:76:
570 | CALL set_atomic_kind(atomic_kind=atomic_kind, name=kind_name_a(ik))
@@ -60034,32 +59875,46 @@
533 | TYPE(atomic_kind_type), POINTER :: atomic_kind
| ^
note: 'atomic_kind' was declared here
-/build/reproducible-path/cp2k-2024.2/src/hfx_ri.F:2456:55:
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_direct_method.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_direct_method.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_direct_method.F90
+/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/thermostat_utils.F:317:38:
- 2456 | ri_data%dbcsr_time = ri_data%dbcsr_time + t2 - t1
- | ^
-Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_ri.F:1803:78:
+ 317 | IF ((nmolecule == 1) .AND. (nkind == 1)) nointer = .FALSE.
+ | ^
+Warning: 'nmolecule' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/thermostat_utils.F:246:83:
- 1803 | REAL(dp) :: pref, spin_fac, t1, t2
- | ^
-note: 't1' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_pdos.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_pdos.F qs_pdos.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_pdos.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_pdos.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'minbas_methods.mod' due to: target does not exist
+ 246 | last_atom, natom, natom_local, nkind, nmol_local, nmol_per_kind, nmolecule, nshell, &
+ | ^
+note: 'nmolecule' declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'rpa_gw_im_time_util.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_im_time.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_tdp_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/xas_tdp_utils.F xas_tdp_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_soc_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_soc_utils.F qs_tddfpt2_soc_utils.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_soc_utils.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'xas_tdp_atom.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_optimize_ri_basis.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_optimize_ri_basis.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_types.F 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="\"Sun May 3 07:31:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_lri_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_lri_utils.F qs_tddfpt2_lri_utils.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_lri_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_lri_utils.F90
/build/reproducible-path/cp2k-2024.2/src/qs_dftb_matrices.F:365:22:
365 | IF (use_virial) THEN
@@ -60070,68 +59925,116 @@
110 | LOGICAL :: defined, found, omit_headers, use_virial
| ^
note: 'use_virial' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_densities.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_densities.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_densities.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_tdp_atom.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_densities.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_tdp_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:57 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_tdp_utils.F90
-/build/reproducible-path/cp2k-2024.2/src/qs_pdos.F:659:95:
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_stda_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_stda_utils.F qs_tddfpt2_stda_utils.F90
+/build/reproducible-path/cp2k-2024.2/src/mp2_direct_method.F:1344:57:
- 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-2024.2/src/qs_pdos.F:171:74:
+ 1344 | BIb_RS_mat_rec(1:dimen, 1:Rsize_rec)
+ | ^
+Warning: 'r_offset_rec' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mp2_direct_method.F:1253:93:
- 171 | REAL(KIND=dp) :: dh(3, 3), dvol, e_fermi, r(3), r_vec(3), &
- | ^
-note: 'dvol' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_kernel_methods.mod' due to: target does not exist
+ 1253 | index_proc_shift, j, n, proc_receive, proc_send, r, R_global, R_offset, R_offset_rec, &
+ | ^
+note: 'r_offset_rec' was declared here
+/build/reproducible-path/cp2k-2024.2/src/mp2_direct_method.F:1344:57:
+
+ 1344 | BIb_RS_mat_rec(1:dimen, 1:Rsize_rec)
+ | ^
+Warning: 'rsize_rec' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mp2_direct_method.F:1254:27:
+
+ 1254 | R_start, Rsize_rec, s, S_global, S_offset, S_offset_rec, Ssize_rec
+ | ^
+note: 'rsize_rec' was declared here
+/build/reproducible-path/cp2k-2024.2/src/mp2_direct_method.F:1254:64:
+
+ 1254 | R_start, Rsize_rec, s, S_global, S_offset, S_offset_rec, Ssize_rec
+ | ^
+Warning: 's_offset_rec' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mp2_direct_method.F:1348:81:
+
+ 1348 | BIb_RS_mat_rec(1:dimen, Rsize_rec + 1:Rsize_rec + Ssize_rec)
+ | ^
+Warning: 'ssize_rec' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mp2_direct_method.F:1254:75:
+
+ 1254 | R_start, Rsize_rec, s, S_global, S_offset, S_offset_rec, Ssize_rec
+ | ^
+note: 'ssize_rec' 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="\"Tue Apr 1 03:42:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_stda_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_lri_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mixed_cdft_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_restart.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_restart.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_restart.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_kernel_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'constraint_4x6.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/constraint_4x6.F 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="\"Sun May 3 07:31:57 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_4x6.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' constraint_4x6.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'constraint_3x3.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:57 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_3x3.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' constraint_3x3.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_force_eval.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'neb_md_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/neb_md_utils.F neb_md_utils.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_md_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' neb_md_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'thermostat_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_pseudo.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_basis.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_energy.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mc_environment_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/mc/mc_environment_types.F mc_environment_types.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/mc/' mc_environment_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mc_misc.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_misc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/mc/' mc_misc.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mc_move_control.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:31:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_move_control.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/mc/' mc_move_control.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/mp2_optimize_ri_basis.F:895:68:
-
- 895 | iset, la
- | ^
-note: 'la' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'neb_md_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/neb_md_utils.F neb_md_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gopt_f_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_md_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' neb_md_utils.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' gopt_f_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'csvr_system_dynamics.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' csvr_system_dynamics.F90
+/build/reproducible-path/cp2k-2024.2/src/colvar_methods.F:5536:24:
+
+ 5536 | colvar%ss = cv_val
+ | ^
+Warning: 'cv_val' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/colvar_methods.F:5457:66:
+
+ 5457 | REAL(kind=dp) :: cv_val, f1, ftmp(3)
+ | ^
+note: 'cv_val' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/motion/neb_md_utils.F:119:47:
119 | temp = 2.0_dp*akin/REAL(nvar, KIND=dp)
@@ -60142,400 +60045,132 @@
74 | INTEGER :: iatom, ivar, natom, nparticle, nvar
| ^
note: 'nvar' 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 May 3 07:31:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' gopt_f_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'colvar_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/colvar_methods.F colvar_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' colvar_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmmx_util.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dftb_matrices.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_kind_orbitals.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_output.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_scf_output.F qs_scf_output.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hirshfeld_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hirshfeld_methods.F hirshfeld_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xtb_matrices.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_pdos.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'minbas_wfn_analysis.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/minbas_wfn_analysis.F minbas_wfn_analysis.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:59 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_output.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:59 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:31:59 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' minbas_wfn_analysis.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_ri_grad.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_lri_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_densities.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_restart.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:31:59 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_restart.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_restart.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_pot_saop.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_soc_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_soc_utils.F qs_tddfpt2_soc_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'sirius_interface.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/sirius_interface.F sirius_interface.F90
-/build/reproducible-path/cp2k-2024.2/src/colvar_methods.F:1277:70:
-
- 1277 | tag_comp = enum_i2c(enum, colvar%xyz_diag_param%component)
- | 1
-Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation]
-/build/reproducible-path/cp2k-2024.2/src/colvar_methods.F:1287:80:
-
- 1287 | tag_comp1 = enum_i2c(enum, colvar%xyz_outerdiag_param%components(1))
- | 1
-Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation]
-/build/reproducible-path/cp2k-2024.2/src/colvar_methods.F:1290:80:
+/build/reproducible-path/cp2k-2024.2/src/colvar_methods.F:2952:10:
- 1290 | 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]
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:59 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_soc_utils.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:31:59 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sirius_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' sirius_interface.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'constraint_4x6.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'constraint_3x3.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'neb_md_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'extended_system_init.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' extended_system_init.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gopt_f_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_propagation_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/emd/rt_propagation_utils.F rt_propagation_utils.F90
+ 2952 | 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-2024.2/Makefile:513: update target 'extended_system_dynamics.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' extended_system_dynamics.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'csvr_system_dynamics.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' extended_system_dynamics.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'al_system_dynamics.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermostat/al_system_dynamics.F al_system_dynamics.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gle_system_dynamics.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermostat/gle_system_dynamics.F gle_system_dynamics.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' al_system_dynamics.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom.F atom.F90
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' al_system_dynamics.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mc_environment_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_stda_utils.F:385:57:
+
+ 385 | converged=converged)
+ | ^
+Warning: 'sm_s' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_stda_utils.F:349:70:
+
+ 349 | TYPE(dbcsr_type), POINTER :: sm_h, sm_s
+ | ^
+note: 'sm_s' was declared here
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/mc/mc_environment_types.F mc_environment_types.F90
+/build/reproducible-path/cp2k-2024.2/src/colvar_methods.F:2036:19:
+
+ 2036 | colvar%ss = r
+ | ^
+Warning: 'r' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/colvar_methods.F:1953:68:
+
+ 1953 | REAL(dp) :: fi(3), r, r0(3), ss(3), xi(3), xpi(3)
+ | ^
+note: 'r' 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="\"Tue Apr 1 03:42:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/gle_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' gle_system_dynamics.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/mc/' mc_environment_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mc_misc.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_misc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/mc/' mc_misc.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mc_move_control.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/mc/mc_move_control.F mc_move_control.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_fit.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mc_misc.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="\"Tue Apr 1 03:42:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_move_control.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/mc/' mc_move_control.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_output.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_scf_output.F qs_scf_output.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/motion/thermostat/al_system_dynamics.F:274:67:
+
+ 274 | INTEGER :: i, imap
+ | ^
+note: 'imap' 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="\"Tue Apr 1 03:42:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_output.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_scf_output.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'qs_dftb_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 May 3 07:32:01 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/gle_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' gle_system_dynamics.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mc_move_control.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'admm_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_tb_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_tb_methods.F qmmm_tb_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:01 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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 May 3 07:32:01 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_tb_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_atomic_block.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_atomic_block.F qs_atomic_block.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_output.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xtb_matrices.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hirshfeld_methods.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmmx_util.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'admm_methods.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_tb_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_tb_methods.F qmmm_tb_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_pdos.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_post_tb.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_scf_post_tb.F qs_scf_post_tb.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'minbas_wfn_analysis.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_optimize_ri_basis.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_im_time.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F 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="\"Tue Apr 1 03:42:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_im_time.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'post_scf_bandstructure_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' post_scf_bandstructure_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xc_pot_saop.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_stda_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_stda_utils.F qs_tddfpt2_stda_utils.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:01 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_atomic_block.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:01 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_tb.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:01 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_stda_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_restart.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_tdp_utils.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_soc_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_tdp_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_stda_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mixed_cdft_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F mixed_cdft_methods.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/motion/thermostat/al_system_dynamics.F:274:67:
-
- 274 | INTEGER :: i, imap
- | ^
-note: 'imap' 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 May 3 07:32:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mixed_cdft_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'sirius_interface.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_restart.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'extended_system_init.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'extended_system_init.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' extended_system_init.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'neb_md_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'space_groups.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/space_groups.F space_groups.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cg_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/cg_utils.F cg_utils.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/space_groups.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' cg_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'extended_system_dynamics.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gopt_f_types.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_propagation_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/emd/rt_propagation_utils.F rt_propagation_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'csvr_system_dynamics.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'al_system_dynamics.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'extended_system_dynamics.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:266:22:
-
- 266 | IF (set_radius_a(iset) + rprjc(1) < dac) CYCLE
- | ^
-Warning: 'ppnl_radius' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:94:76:
-
- 94 | REAL(KIND=dp) :: dac, ppnl_radius
- | ^
-note: 'ppnl_radius' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:289:106:
-
- 289 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa)
- | ^
-Warning: 'vprj_ppnl.data' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:90:
-
- 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
- | ^
-note: 'vprj_ppnl.data' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:289:106:
-
- 289 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa)
- | ^
-Warning: 'vprj_ppnl.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:90:
-
- 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
- | ^
-note: 'vprj_ppnl.offset' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:289:106:
-
- 289 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa)
- | ^
-Warning: 'vprj_ppnl.span' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:90:
-
- 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
- | ^
-note: 'vprj_ppnl.span' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:289:106:
-
- 289 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa)
- | ^
-Warning: 'vprj_ppnl.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:90:
-
- 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
- | ^
-note: 'vprj_ppnl.dim[0].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:289:106:
-
- 289 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa)
- | ^
-Warning: 'vprj_ppnl.dim[0].lbound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:90:
-
- 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
- | ^
-note: 'vprj_ppnl.dim[0].lbound' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:289:106:
-
- 289 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa)
- | ^
-Warning: 'vprj_ppnl.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:90:
-
- 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
- | ^
-note: 'vprj_ppnl.dim[0].ubound' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom.mod' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:289:106:
-
- 289 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa)
- | ^
-Warning: 'vprj_ppnl.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:90:
-
- 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
- | ^
-note: 'vprj_ppnl.dim[1].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:263:45:
-
- 263 | nprjc = nprj_ppnl(l)*nco(l)
- | ^
-Warning: 'nprj_ppnl.data' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:90:92:
-
- 90 | INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgfa, nprj_ppnl, &
- | ^
-note: 'nprj_ppnl.data' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:263:45:
-
- 263 | nprjc = nprj_ppnl(l)*nco(l)
- | ^
-Warning: 'nprj_ppnl.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:90:92:
-
- 90 | INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgfa, nprj_ppnl, &
- | ^
-note: 'nprj_ppnl.offset' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:263:45:
-
- 263 | nprjc = nprj_ppnl(l)*nco(l)
- | ^
-Warning: 'nprj_ppnl.span' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:90:92:
-
- 90 | INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgfa, nprj_ppnl, &
- | ^
-note: 'nprj_ppnl.span' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:263:45:
-
- 263 | nprjc = nprj_ppnl(l)*nco(l)
- | ^
-Warning: 'nprj_ppnl.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'al_system_dynamics.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:90:92:
-
- 90 | INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgfa, nprj_ppnl, &
- | ^
-note: 'nprj_ppnl.dim[0].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:269:41:
-
- 269 | zetc(1) = alpha_ppnl(l)
- | ^
-Warning: 'alpha_ppnl.data' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:98:70:
-
- 98 | REAL(KIND=dp), DIMENSION(:), POINTER :: alpha_ppnl, set_radius_a
- | ^
-note: 'alpha_ppnl.data' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:269:41:
-
- 269 | zetc(1) = alpha_ppnl(l)
- | ^
-Warning: 'alpha_ppnl.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:98:70:
-
- 98 | REAL(KIND=dp), DIMENSION(:), POINTER :: alpha_ppnl, set_radius_a
- | ^
-note: 'alpha_ppnl.offset' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:269:41:
-
- 269 | zetc(1) = alpha_ppnl(l)
- | ^
-Warning: 'alpha_ppnl.span' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:98:70:
-
- 98 | REAL(KIND=dp), DIMENSION(:), POINTER :: alpha_ppnl, set_radius_a
- | ^
-note: 'alpha_ppnl.span' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:269:41:
-
- 269 | zetc(1) = alpha_ppnl(l)
- | ^
-Warning: 'alpha_ppnl.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:98:70:
-
- 98 | REAL(KIND=dp), DIMENSION(:), POINTER :: alpha_ppnl, set_radius_a
- | ^
-note: 'alpha_ppnl.dim[0].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:279:91:
-
- 279 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab)
- | ^
-Warning: 'cprj.data' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:64:
-
- 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
- | ^
-note: 'cprj.data' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:279:91:
-
- 279 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab)
- | ^
-Warning: 'cprj.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:64:
-
- 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
- | ^
-note: 'cprj.offset' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:279:91:
-
- 279 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab)
- | ^
-Warning: 'cprj.span' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:64:
-
- 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
- | ^
-note: 'cprj.span' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:279:91:
-
- 279 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab)
- | ^
-Warning: 'cprj.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:64:
-
- 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
- | ^
-note: 'cprj.dim[0].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:279:91:
-
- 279 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab)
- | ^
-Warning: 'cprj.dim[0].lbound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:64:
-
- 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
- | ^
-note: 'cprj.dim[0].lbound' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:279:91:
-
- 279 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab)
- | ^
-Warning: 'cprj.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:64:
-
- 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
- | ^
-note: 'cprj.dim[0].ubound' was declared here
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:279:91:
-
- 279 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab)
- | ^
-Warning: 'cprj.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:64:
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_energy.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_energy.F atom_energy.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/emd/' rt_propagation_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_pseudo.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_energy.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_pseudo.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_pseudo.F90
+/build/reproducible-path/cp2k-2024.2/src/post_scf_bandstructure_utils.F:2131:40:
- 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
- | ^
-note: 'cprj.dim[1].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_atomic_block.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_cdft_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_cdft_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_ri.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_soc.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_soc.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'barostat_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' barostat_types.F90
+ 2131 | elements(i_kind) = atom_name
+ | 1
+Warning: CHARACTER expression will be truncated in assignment (3/80) at (1) [-Wcharacter-truncation]
/build/reproducible-path/cp2k-2024.2/src/qmmm_tb_methods.F:1402:37:
1402 | force_ab = -fsr*rij/dr
@@ -60546,6 +60181,9 @@
1357 | REAL(KIND=dp) :: dr, drm, drp, dsr, fsr, qeff, rt1, rt2, &
| ^
note: 'fsr' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_basis.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_basis.F 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="\"Tue Apr 1 03:42:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_basis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_basis.F90
/build/reproducible-path/cp2k-2024.2/src/qmmm_tb_methods.F:898:13:
898 | IF (do_dftb) THEN
@@ -60556,38 +60194,31 @@
844 | LOGICAL :: defined, do_dftb, do_multipoles, do_xtb, &
| ^
note: 'do_dftb' was declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_stda_utils.F:385:57:
-
- 385 | converged=converged)
- | ^
-Warning: 'sm_s' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_stda_utils.F:349:70:
-
- 349 | TYPE(dbcsr_type), POINTER :: sm_h, sm_s
- | ^
-note: 'sm_s' was declared here
-/build/reproducible-path/cp2k-2024.2/src/colvar_methods.F:5536:24:
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mc_environment_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mc_misc.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mc_move_control.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/src/atom_energy.F:530:17:
- 5536 | colvar%ss = cv_val
- | ^
-Warning: 'cv_val' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/colvar_methods.F:5457:66:
+ 530 | CPASSERT(fhomo > ABS(dene))
+ | ^
+Warning: 'fhomo' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/atom_energy.F:493:85:
- 5457 | REAL(kind=dp) :: cv_val, f1, ftmp(3)
- | ^
-note: 'cv_val' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_propagation_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gle_system_dynamics.mod' due to: target does not exist
+ 493 | REAL(KIND=dp) :: dene, emax, expzet, fhomo, o, prefac, &
+ | ^
+note: 'fhomo' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom_kind_orbitals.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom_kind_orbitals.F atom_kind_orbitals.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_output.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_ri_kp.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_ri_kp.F hfx_ri_kp.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'barostat_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="\"Tue Apr 1 03:42:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_kind_orbitals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom_kind_orbitals.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_direct_method.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'thermostat_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:03 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri_kp.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:03 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' thermostat_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_soc.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_soc.F qs_tddfpt2_soc.F90
/build/reproducible-path/cp2k-2024.2/src/qmmm_tb_methods.F:655:13:
655 | IF (do_dftb) THEN
@@ -60598,11 +60229,12 @@
608 | LOGICAL :: defined, do_dftb, do_xtb, found
| ^
note: 'do_dftb' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_stda_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'extended_system_init.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_barostats.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:03 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/input_cp2k_barostats.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' input_cp2k_barostats.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'space_groups.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:42:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/space_groups.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' space_groups.F90
/build/reproducible-path/cp2k-2024.2/src/qmmm_tb_methods.F:376:10:
376 | IF (do_dftb) THEN
@@ -60613,19 +60245,6 @@
323 | LOGICAL :: defined, do_dftb, do_multipoles, do_xtb, &
| ^
note: 'do_dftb' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'barostat_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermostat/barostat_utils.F barostat_utils.F90
-/build/reproducible-path/cp2k-2024.2/src/colvar_methods.F:2952:10:
-
- 2952 | 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]
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' barostat_utils.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/qmmm_tb_methods.F:276:10:
276 | IF (do_dftb) THEN
@@ -60636,6 +60255,16 @@
251 | LOGICAL :: do_dftb, do_xtb
| ^
note: 'do_dftb' was declared here
+/build/reproducible-path/cp2k-2024.2/src/post_scf_bandstructure_utils.F:2514:41:
+
+ 2514 | ALLOCATE (atom_from_bf_index(n_bf))
+ | ^
+Warning: 'n_bf' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/post_scf_bandstructure_utils.F:2490:94:
+
+ 2490 | j_bf, jatom, jatom_old, jcol, n_bf, &
+ | ^
+note: 'n_bf' declared here
/build/reproducible-path/cp2k-2024.2/src/qmmm_tb_methods.F:160:10:
160 | IF (do_dftb) THEN
@@ -60646,83 +60275,256 @@
114 | LOGICAL :: defined, do_dftb, do_xtb, found
| ^
note: 'do_dftb' was declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_cdft_utils.F:963:37:
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cg_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/cg_utils.F cg_utils.F90
+/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:412:54:
- 963 | bounds = bounds - (n3/2) - 1
- | ^
-Warning: 'ub' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_cdft_utils.F:912:77:
+ 412 | nze_M_occ = nze_M_occ + nze
+ | ^
+Warning: 'nze_m_occ' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:182:99:
- 912 | nzeroed_inner, ub
+ 182 | INTEGER(int_8) :: nze, nze_dm_occ, nze_dm_virt, nze_M_occ, &
+ | ^
+note: 'nze_m_occ' was declared here
+/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:457:56:
+
+ 457 | nze_M_virt = nze_M_virt + nze
+ | ^
+Warning: 'nze_m_virt' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:183:70:
+
+ 183 | nze_M_virt, nze_O
+ | ^
+note: 'nze_m_virt' was declared here
+/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:413:54:
+
+ 413 | occ_M_occ = occ_M_occ + occ
+ | ^
+Warning: 'occ_m_occ' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:194:99:
+
+ 194 | REAL(dp) :: occ, occ_dm_occ, occ_dm_virt, occ_M_occ, &
+ | ^
+note: 'occ_m_occ' was declared here
+/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:458:56:
+
+ 458 | occ_M_virt = occ_M_virt + occ
+ | ^
+Warning: 'occ_m_virt' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:195:70:
+
+ 195 | occ_M_virt, occ_O, t1_flop
+ | ^
+note: 'occ_m_virt' was declared here
+/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:375:52:
+
+ 375 | nze_O = nze_O + nze
+ | ^
+Warning: 'nze_o' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:183:77:
+
+ 183 | nze_M_virt, nze_O
| ^
-note: 'ub' was declared here
-/build/reproducible-path/cp2k-2024.2/src/colvar_methods.F:2036:19:
+note: 'nze_o' was declared here
+/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:376:52:
- 2036 | colvar%ss = r
- | ^
-Warning: 'r' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/colvar_methods.F:1953:68:
+ 376 | occ_O = occ_O + occ
+ | ^
+Warning: 'occ_o' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/rpa_im_time.F:195:77:
- 1953 | REAL(dp) :: fi(3), r, r0(3), ss(3), xi(3), xpi(3)
- | ^
-note: 'r' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'commutator_rpnl.mod' due to: target does not exist
+ 195 | occ_M_virt, occ_O, t1_flop
+ | ^
+note: 'occ_o' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gle_system_dynamics.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_fhxc_forces.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc_forces.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_fhxc_forces.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'space_groups.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="\"Tue Apr 1 03:42:46 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' cg_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_pseudo.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cg_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_basis.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'colvar_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_lbfgs.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/cp_lbfgs.F cp_lbfgs.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_tb_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_moments.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_moments.F qs_moments.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_commutators.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' cp_lbfgs.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_commutators.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_moments.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_moments.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_barostats.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/src/post_scf_bandstructure_utils.F:2390:35:
+
+ 2390 | ALLOCATE (atom_from_bf(n_bf))
+ | ^
+Warning: 'n_bf' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/post_scf_bandstructure_utils.F:2356:40:
+
+ 2356 | 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-2024.2/src/post_scf_bandstructure_utils.F:2447:76:
+
+ 2447 | 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-2024.2/src/post_scf_bandstructure_utils.F:2355:78:
+
+ 2355 | 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-2024.2/Makefile:513: update target 'qs_scf_post_tb.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_scf_post_tb.F qs_scf_post_tb.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_optimize_ri_basis.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_tb.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_optimize_ri_basis.F90
+/build/reproducible-path/cp2k-2024.2/src/post_scf_bandstructure_utils.F:2240:19:
+
+ 2240 | IF (i_kind .NE. kind_of(i_atom)) THEN
+ | ^
+Warning: 'i_atom' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/post_scf_bandstructure_utils.F:2188:74:
+
+ 2188 | INTEGER :: handle, i_atom, i_global, i_kind, i_row, &
+ | ^
+note: 'i_atom' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'barostat_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' barostat_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_propagation_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'barostat_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'thermostat_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermostat/thermostat_methods.F thermostat_methods.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/hfx_ri.F:1803:78:
+
+ 1803 | REAL(dp) :: pref, spin_fac, t1, t2
+ | ^
+note: 't1' 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="\"Tue Apr 1 03:42:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' thermostat_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'metadynamics.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/metadynamics.F metadynamics.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_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="\"Tue Apr 1 03:42:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' metadynamics.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'colvar_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/colvar_utils.F 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="\"Tue Apr 1 03:42:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' colvar_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'restraint.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/restraint.F restraint.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'constraint_clv.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/constraint_clv.F 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="\"Tue Apr 1 03:42:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"restraint.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_clv.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' constraint_clv.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'constraint_util.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' constraint_util.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/metadynamics.F:377:69:
+
+ 377 | REAL(kind=dp) :: check_val, diff_ss, dt, ekin_w, fac_t, &
+ | ^
+note: 'check_val' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_gpw_energy.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmm_gpw_energy.F qmmm_gpw_energy.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_cdft_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_im_time.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_commutators.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'post_scf_bandstructure_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_control_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_energy.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_gpw_energy.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_control_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_md.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_md.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' input_cp2k_md.F90
-/build/reproducible-path/cp2k-2024.2/src/hfx_ri_kp.F:1689:3:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_energy.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_gpw_energy.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_soc.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'barostat_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/src/mp2_optimize_ri_basis.F:945:87:
- 1689 | FUNCTION get_apc_index(a_index, c_index, qs_env) RESULT(i_index)
- | ^
-Warning: 'get_apc_index' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/src/hfx_ri_kp.F:4640:30:
+ 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-2024.2/src/mp2_optimize_ri_basis.F:895:68:
- 4640 | SUBROUTINE get_atom_3c_ints(t_3c_at, t_3c_ints, iatom, dim_at, idx_to_at)
- | ^
-Warning: 'get_atom_3c_ints' defined but not used [-Wunused-function]
+ 895 | iset, la
+ | ^
+note: 'la' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'space_groups.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'barostat_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermostat/barostat_utils.F 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="\"Tue Apr 1 03:42:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' barostat_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_barostats.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/thermostat/input_cp2k_barostats.F input_cp2k_barostats.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cg_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="\"Tue Apr 1 03:42:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/input_cp2k_barostats.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/thermostat/' input_cp2k_barostats.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'metadynamics.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'atom.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/atom.F atom.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom_kind_orbitals.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'restraint.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' atom.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_lbfgs.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/cp_lbfgs.F cp_lbfgs.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'thermostat_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="\"Tue Apr 1 03:42:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' cp_lbfgs.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'sirius_interface.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/sirius_interface.F 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="\"Tue Apr 1 03:42:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sirius_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' sirius_interface.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'colvar_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hirshfeld_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hirshfeld_methods.F hirshfeld_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_atomic_block.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_atomic_block.F 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="\"Tue Apr 1 03:42:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_atomic_block.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_atomic_block.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'averages_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/averages_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' averages_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'barostat_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_barostats.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a"
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'atom.mod' due to: target does not exist
+true
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a barostat_types.o extended_system_mapping.o al_system_dynamics.o csvr_system_mapping.o thermostat_types.o input_cp2k_barostats.o al_system_mapping.o csvr_system_init.o thermostat_methods.o thermostat_mapping.o gle_system_dynamics.o barostat_utils.o csvr_system_dynamics.o extended_system_init.o thermostat_utils.o extended_system_dynamics.o al_system_init.o
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a csvr_system_init.o al_system_dynamics.o extended_system_mapping.o csvr_system_dynamics.o thermostat_utils.o extended_system_init.o gle_system_dynamics.o extended_system_dynamics.o input_cp2k_barostats.o barostat_types.o barostat_utils.o al_system_init.o al_system_mapping.o csvr_system_mapping.o thermostat_mapping.o thermostat_methods.o thermostat_types.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_cdft_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_cdft_methods.F 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="\"Sun May 3 07:32:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_cdft_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'sirius_interface.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_constraint_util.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_constraint_util.F topology_constraint_util.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_constraint_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_constraint_util.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'constraint_util.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_md.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_md.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' input_cp2k_md.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'constraint.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' constraint.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_optimize_ri_basis.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_gpw_energy.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_post_tb.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_atomic_block.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_gpw_forces.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_forces.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_gpw_forces.F90
/build/reproducible-path/cp2k-2024.2/src/motion/cp_lbfgs.F:1370:38:
1370 | t(nbreak) = tl/(-neggi)
@@ -60738,6 +60540,118 @@
1285 | tu, wmc, wmp, wmw, zibp
| ^
Warning: 'tu' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'averages_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'md_environment_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' md_environment_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hirshfeld_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_cdft_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_cdft_utils.F qs_cdft_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mixed_cdft_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F mixed_cdft_methods.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mixed_cdft_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_lbfgs.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_md.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'simpar_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/simpar_methods.F simpar_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_motion.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/simpar_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k_motion.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/start/' input_cp2k_motion.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'md_environment_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'md_conserved_quantities.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/md_conserved_quantities.F md_conserved_quantities.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'free_energy_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/free_energy_methods.F free_energy_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'reftraj_util.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/reftraj_util.F 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="\"Tue Apr 1 03:42:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/free_energy_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_conserved_quantities.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' reftraj_util.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'glbopt_callback.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/glbopt_callback.F glbopt_callback.F90
+/build/reproducible-path/cp2k-2024.2/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]
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/glbopt_callback.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' glbopt_callback.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/qs_cdft_utils.F:912:77:
+
+ 912 | nzeroed_inner, ub
+ | ^
+note: 'ub' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'wiener_process.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/wiener_process.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' wiener_process.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'simpar_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_constraint_util.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'constraint.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_gpw_forces.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'integrator_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/integrator_utils.F integrator_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'glbopt_callback.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology.F topology.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_cdft_utils.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' integrator_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'force_env_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mdctrl_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' force_env_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_motion.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_cdft_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_cdft_methods.F 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="\"Tue Apr 1 03:42:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mdctrl_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' mdctrl_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_control_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_cdft_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'md_conserved_quantities.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'reftraj_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="\"Tue Apr 1 03:42:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_control_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'wiener_process.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/start/input_cp2k.F input_cp2k.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_ri.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/start/' input_cp2k.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'free_energy_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_ri_kp.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_ri_kp.F hfx_ri_kp.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_fhxc_forces.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_fhxc_forces.F qs_tddfpt2_fhxc_forces.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mdctrl_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="\"Tue Apr 1 03:42:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri_kp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_ri_kp.F90
/build/reproducible-path/cp2k-2024.2/src/cp_control_utils.F:2004:51:
2004 | method = enum_i2c(enum, qs_control%method_id)
@@ -60748,10 +60662,7 @@
2009 | 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-2024.2/Makefile:560: update target 'qs_tddfpt2_soc.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_post_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="\"Tue Apr 1 03:42:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc_forces.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_fhxc_forces.F90
/build/reproducible-path/cp2k-2024.2/src/cp_control_utils.F:2261:78:
2261 | i_val=ddapc_restraint_control%density_type)
@@ -60762,15 +60673,7 @@
2229 | TYPE(section_vals_type), POINTER :: ddapc_section
| ^
note: 'ddapc_section' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_md.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'simpar_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/simpar_methods.F simpar_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_motion.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/simpar_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k_motion.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/start/' input_cp2k_motion.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_lbfgs.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'force_env_utils.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/cp_control_utils.F:1413:53:
@@ -60782,6 +60685,12 @@
1356 | INTEGER :: handle, irep, isize, nrep
| ^
note: 'isize' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_subsys_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_subsys_methods.F cp_subsys_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'glbopt_master.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/swarm/glbopt_master.F glbopt_master.F90
/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:3857:44:
3857 | d_sum_Pm_dR = 0.0_dp
@@ -61013,35 +60922,7 @@
3526 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight
| ^
note: 'weight.dim[0].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:3217:13:
-
- 3217 | IF (jatom == last_jatom) THEN
- | ^
-Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:3105:19:
-
- 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-2024.2/Makefile:560: update target 'qmmm_gpw_energy.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_gpw_forces.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:07 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_forces.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_gpw_forces.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'simpar_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/src/cp_control_utils.F:223:52:
-
- 223 | dft_control%auto_basis_ri_xas = isize
- | ^
-Warning: 'isize' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/cp_control_utils.F:107:94:
-
- 107 | INTEGER :: admmtype, excitations, irep, isize, &
- | ^
-note: 'isize' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_control_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="\"Tue Apr 1 03:42:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' cp_subsys_methods.F90
/build/reproducible-path/cp2k-2024.2/src/qs_cdft_methods.F:929:34:
929 | DEALLOCATE (rs_single)
@@ -61062,98 +60943,63 @@
656 | DIMENSION(:) :: rs_single, rs_single_charge, rs_single_dr
| ^
note: 'rs_single_charge.dim[0].ubound' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'colvar_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="\"Tue Apr 1 03:42:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_master.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' glbopt_master.F90
+/build/reproducible-path/cp2k-2024.2/src/cp_control_utils.F:223:52:
+
+ 223 | dft_control%auto_basis_ri_xas = isize
+ | ^
+Warning: 'isize' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/cp_control_utils.F:107:94:
+
+ 107 | INTEGER :: admmtype, excitations, irep, isize, &
+ | ^
+note: 'isize' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_control_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'integrator_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/src/hfx_ri_kp.F:1689:3:
+
+ 1689 | FUNCTION get_apc_index(a_index, c_index, qs_env) RESULT(i_index)
+ | ^
+Warning: 'get_apc_index' defined but not used [-Wunused-function]
+/build/reproducible-path/cp2k-2024.2/src/hfx_ri_kp.F:4640:30:
+
+ 4640 | SUBROUTINE get_atom_3c_ints(t_3c_at, t_3c_ints, iatom, dim_at, idx_to_at)
+ | ^
+Warning: 'get_atom_3c_ints' defined but not used [-Wunused-function]
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'glbopt_master.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'colvar_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/colvar_utils.F colvar_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'restraint.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/restraint.F restraint.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'constraint_clv.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/constraint_clv.F constraint_clv.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'constraint_util.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"restraint.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_clv.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' constraint_clv.F90
/build/reproducible-path/cp2k-2024.2/src/qs_cdft_methods.F:1159:66:
1159 | TYPE(pw_r3d_rs_type), DIMENSION(:), POINTER :: charge, rho_r
| ^
Warning: 'charge.offset' may be used uninitialized [-Wmaybe-uninitialized]
/build/reproducible-path/cp2k-2024.2/src/qs_cdft_methods.F:1159:66: Warning: 'charge.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'metadynamics.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:08 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' metadynamics.F90
-/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:802:25:
-
- 802 | nders, nkind, nm, nmom_build, nseta, nsetb, sgfa, sgfb
- | ^
-Warning: 'nm' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:806:63:
-
- 806 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: mab
- | ^
-Warning: 'mab.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:1014:33:
-
- 1014 | mab = 0.0_dp
- | ^
-Warning: 'mab.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:806:63:
-
- 806 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: mab
- | ^
-note: 'mab.dim[0].ubound' was declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:806:63: Warning: 'mab.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:806:63: Warning: 'mab.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:806:63: Warning: 'mab.dim[2].ubound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:811:73:
-
- 811 | TYPE(block_p_type), ALLOCATABLE, DIMENSION(:, :) :: mom_block_der
- | ^
-Warning: 'mom_block_der.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:811:73: Warning: 'mom_block_der.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:944:16:
-
- 944 | IF (jatom == last_jatom) THEN
- | ^
-Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:801:45:
-
- 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-2024.2/src/mixed_cdft_methods.F:1250:91:
-
- 1250 | density_matrix(istate, ispin)%matrix, name="DENSITY_MATRIX")
- | ^
-Warning: 'density_matrix.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:1169:74:
-
- 1169 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, &
- | ^
-note: 'density_matrix.offset' was declared here
-/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:1250:91:
-
- 1250 | density_matrix(istate, ispin)%matrix, name="DENSITY_MATRIX")
- | ^
-Warning: 'density_matrix.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:1169:74:
-
- 1169 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, &
- | ^
-note: 'density_matrix.dim[0].stride' was declared here
-/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:1250:91:
-
- 1250 | density_matrix(istate, ispin)%matrix, name="DENSITY_MATRIX")
- | ^
-Warning: 'density_matrix.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:1169:74:
-
- 1169 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, &
- | ^
-note: 'density_matrix.dim[1].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'swarm_master.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_master.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' swarm_master.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_subsys_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_subsys_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_subsys_methods.F qs_subsys_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_environment.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_environment.F fist_environment.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'eip_environment.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/eip_environment.F eip_environment.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'nnp_environment.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:42:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' eip_environment.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'embed_environment.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/embed_environment.F embed_environment.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:42:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' embed_environment.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ipi_environment.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ipi_environment.F ipi_environment.F90
/build/reproducible-path/cp2k-2024.2/src/qs_cdft_methods.F:434:78:
434 | dP_i_dRj(:, iatom, jatom) = ds_dR_j(:)/tmp_const
@@ -61194,16 +61040,101 @@
146 | INTEGER :: handle, i, iatom, igroup, ind(3), ip, j, &
| ^
note: 'ip' was declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:669:16:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ipi_environment.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mixed_environment.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mixed_environment.F mixed_environment.F90
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:1250:91:
- 669 | IF (jatom == last_jatom) THEN
- | ^
-Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:569:97:
+ 1250 | density_matrix(istate, ispin)%matrix, name="DENSITY_MATRIX")
+ | ^
+Warning: 'density_matrix.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:1169:74:
- 569 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, &
- | ^
-note: 'last_jatom' was declared here
+ 1169 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, &
+ | ^
+note: 'density_matrix.offset' was declared here
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:1250:91:
+
+ 1250 | density_matrix(istate, ispin)%matrix, name="DENSITY_MATRIX")
+ | ^
+Warning: 'density_matrix.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:1169:74:
+
+ 1169 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, &
+ | ^
+note: 'density_matrix.dim[0].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:1250:91:
+
+ 1250 | density_matrix(istate, ispin)%matrix, name="DENSITY_MATRIX")
+ | ^
+Warning: 'density_matrix.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:1169:74:
+
+ 1169 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, &
+ | ^
+note: 'density_matrix.dim[1].stride' was declared here
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:42:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mixed_environment.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'swarm_master.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_subsys_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'eip_environment.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'embed_environment.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pwdft_environment.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pwdft_environment.F pwdft_environment.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pwdft_environment.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'embed_main.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/embed_main.F embed_main.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ipi_environment.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' embed_main.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mixed_environment.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mixed_main.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mixed_main.F mixed_main.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_cdft_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ks_apply_restraints.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_apply_restraints.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ks_apply_restraints.F90
+/build/reproducible-path/cp2k-2024.2/src/nnp_environment.F:645:107:
+
+ 645 | 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-2024.2/src/nnp_environment.F:260:67:
+
+ 260 | unit_nr
+ | ^
+note: 'unit_nr' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'embed_main.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mixed_main.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pwdft_environment.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'nnp_environment.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'helium_nnp.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/helium_nnp.F helium_nnp.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ks_apply_restraints.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_nnp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' helium_nnp.F90
/build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_fhxc_forces.F:526:30:
526 | IF (do_analytic .AND. .NOT. do_numeric) THEN
@@ -61224,20 +61155,361 @@
176 | do_numeric, gapw, gapw_xc, hfx_treat_lsd_in_core, is_rks_triplets, s_mstruct_changed, &
| ^
note: 'do_numeric' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_motion.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:3373:97:
+
+ 3373 | ALLOCATE (req_total(COUNT(mixed_cdft%dlb_control%recv_work_repl) + 2*COUNT(touched)))
+ | ^
+Warning: 'touched.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:2736:89:
+
+ 2736 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched
+ | ^
+note: 'touched.dim[0].ubound' was declared here
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:3421:13:
+
+ 3421 | IF (ANY(mask_send)) THEN
+ | ^
+Warning: 'mask_send.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:2736:80:
+
+ 2736 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched
+ | ^
+note: 'mask_send.dim[0].ubound' was declared here
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:3438:13:
+
+ 3438 | IF (ANY(mask_recv)) THEN
+ | ^
+Warning: 'mask_recv.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:2736:69:
+
+ 2736 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched
+ | ^
+note: 'mask_recv.dim[0].ubound' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'helium_nnp.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'constraint_util.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_fhxc_forces.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/start/input_cp2k.F input_cp2k.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'constraint_clv.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:2634:74:
+
+ 2634 | my_work_size, natom, bo, bo_conf)
+ | ^
+Warning: 'my_work_size' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:2285:44:
+
+ 2285 | jatom, katom, my_work, my_work_size, natom, nforce_eval, nkind, np(3), npme, nthread, &
+ | ^
+note: 'my_work_size' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:266:22:
+
+ 266 | IF (set_radius_a(iset) + rprjc(1) < dac) CYCLE
+ | ^
+Warning: 'ppnl_radius' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:94:76:
+
+ 94 | REAL(KIND=dp) :: dac, ppnl_radius
+ | ^
+note: 'ppnl_radius' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:289:106:
+
+ 289 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa)
+ | ^
+Warning: 'vprj_ppnl.data' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:90:
+
+ 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
+ | ^
+note: 'vprj_ppnl.data' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:289:106:
+
+ 289 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa)
+ | ^
+Warning: 'vprj_ppnl.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:90:
+
+ 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
+ | ^
+note: 'vprj_ppnl.offset' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:289:106:
+
+ 289 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa)
+ | ^
+Warning: 'vprj_ppnl.span' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:90:
+
+ 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
+ | ^
+note: 'vprj_ppnl.span' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:289:106:
+
+ 289 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa)
+ | ^
+Warning: 'vprj_ppnl.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:90:
+
+ 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
+ | ^
+note: 'vprj_ppnl.dim[0].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:289:106:
+
+ 289 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa)
+ | ^
+Warning: 'vprj_ppnl.dim[0].lbound' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:90:
+
+ 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
+ | ^
+note: 'vprj_ppnl.dim[0].lbound' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:289:106:
+
+ 289 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa)
+ | ^
+Warning: 'vprj_ppnl.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:90:
+
+ 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
+ | ^
+note: 'vprj_ppnl.dim[0].ubound' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:289:106:
+
+ 289 | vprj_ppnl(1, 1), SIZE(vprj_ppnl, 1), 0.0_dp, clist%achint(sgfa, 1, i), nsgfa)
+ | ^
+Warning: 'vprj_ppnl.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:90:
+
+ 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
+ | ^
+note: 'vprj_ppnl.dim[1].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:263:45:
+
+ 263 | nprjc = nprj_ppnl(l)*nco(l)
+ | ^
+Warning: 'nprj_ppnl.data' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:90:92:
+
+ 90 | INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgfa, nprj_ppnl, &
+ | ^
+note: 'nprj_ppnl.data' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:263:45:
+
+ 263 | nprjc = nprj_ppnl(l)*nco(l)
+ | ^
+Warning: 'nprj_ppnl.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:90:92:
+
+ 90 | INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgfa, nprj_ppnl, &
+ | ^
+note: 'nprj_ppnl.offset' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:263:45:
+
+ 263 | nprjc = nprj_ppnl(l)*nco(l)
+ | ^
+Warning: 'nprj_ppnl.span' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:90:92:
+
+ 90 | INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgfa, nprj_ppnl, &
+ | ^
+note: 'nprj_ppnl.span' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:263:45:
+
+ 263 | nprjc = nprj_ppnl(l)*nco(l)
+ | ^
+Warning: 'nprj_ppnl.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:90:92:
+
+ 90 | INTEGER, DIMENSION(:), POINTER :: la_max, la_min, npgfa, nprj_ppnl, &
+ | ^
+note: 'nprj_ppnl.dim[0].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:269:41:
+
+ 269 | zetc(1) = alpha_ppnl(l)
+ | ^
+Warning: 'alpha_ppnl.data' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:98:70:
+
+ 98 | REAL(KIND=dp), DIMENSION(:), POINTER :: alpha_ppnl, set_radius_a
+ | ^
+note: 'alpha_ppnl.data' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:269:41:
+
+ 269 | zetc(1) = alpha_ppnl(l)
+ | ^
+Warning: 'alpha_ppnl.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:98:70:
+
+ 98 | REAL(KIND=dp), DIMENSION(:), POINTER :: alpha_ppnl, set_radius_a
+ | ^
+note: 'alpha_ppnl.offset' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:269:41:
+
+ 269 | zetc(1) = alpha_ppnl(l)
+ | ^
+Warning: 'alpha_ppnl.span' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:98:70:
+
+ 98 | REAL(KIND=dp), DIMENSION(:), POINTER :: alpha_ppnl, set_radius_a
+ | ^
+note: 'alpha_ppnl.span' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:269:41:
+
+ 269 | zetc(1) = alpha_ppnl(l)
+ | ^
+Warning: 'alpha_ppnl.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:98:70:
+
+ 98 | REAL(KIND=dp), DIMENSION(:), POINTER :: alpha_ppnl, set_radius_a
+ | ^
+note: 'alpha_ppnl.dim[0].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:279:91:
+
+ 279 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab)
+ | ^
+Warning: 'cprj.data' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:64:
+
+ 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
+ | ^
+note: 'cprj.data' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:279:91:
+
+ 279 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab)
+ | ^
+Warning: 'cprj.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:64:
+
+ 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
+ | ^
+note: 'cprj.offset' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:279:91:
+
+ 279 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab)
+ | ^
+Warning: 'cprj.span' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:64:
+
+ 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
+ | ^
+note: 'cprj.span' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:279:91:
+
+ 279 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab)
+ | ^
+Warning: 'cprj.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:64:
+
+ 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
+ | ^
+note: 'cprj.dim[0].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:279:91:
+
+ 279 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab)
+ | ^
+Warning: 'cprj.dim[0].lbound' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:64:
+
+ 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
+ | ^
+note: 'cprj.dim[0].lbound' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:279:91:
+
+ 279 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab)
+ | ^
+Warning: 'cprj.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:64:
+
+ 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
+ | ^
+note: 'cprj.dim[0].ubound' was declared here
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:279:91:
+
+ 279 | cprj(1, prjc), SIZE(cprj, 1), 0.0_dp, work(1, 1, i), ldsab)
+ | ^
+Warning: 'cprj.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/commutator_rpnl.F:99:64:
+
+ 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, &
+ | ^
+note: 'cprj.dim[1].stride' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'commutator_rpnl.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:09 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/start/' input_cp2k.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'constraint.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:09 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' constraint.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'restraint.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_moments.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_moments.F qs_moments.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_commutators.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_commutators.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_moments.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_moments.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_commutators.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mixed_cdft_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:3217:13:
+
+ 3217 | IF (jatom == last_jatom) THEN
+ | ^
+Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:3105:19:
+
+ 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-2024.2/src/hfx_ri_kp.F:3696:113:
+
+ 3696 | tensor_dims=[1, SIZE(bsizes_RI_ext_split), batch_size*SIZE(ri_data%bsizes_AO_split)])
+ | ^
+Warning: 'batch_size' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/hfx_ri_kp.F:3619:70:
+
+ 3619 | INTEGER :: batch_size, handle, i_img, i_RI, i_spin, &
+ | ^
+note: 'batch_size' was declared here
+/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:802:25:
+
+ 802 | nders, nkind, nm, nmom_build, nseta, nsetb, sgfa, sgfb
+ | ^
+Warning: 'nm' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:806:63:
+
+ 806 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: mab
+ | ^
+Warning: 'mab.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:1014:33:
+
+ 1014 | mab = 0.0_dp
+ | ^
+Warning: 'mab.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:806:63:
+
+ 806 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: mab
+ | ^
+note: 'mab.dim[0].ubound' was declared here
+/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:806:63: Warning: 'mab.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:806:63: Warning: 'mab.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:806:63: Warning: 'mab.dim[2].ubound' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:811:73:
+
+ 811 | TYPE(block_p_type), ALLOCATABLE, DIMENSION(:, :) :: mom_block_der
+ | ^
+Warning: 'mom_block_der.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:811:73: Warning: 'mom_block_der.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:944:16:
+
+ 944 | IF (jatom == last_jatom) THEN
+ | ^
+Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:801:45:
+
+ 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-2024.2/src/qs_moments.F:669:16:
+
+ 669 | IF (jatom == last_jatom) THEN
+ | ^
+Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:569:97:
+
+ 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-2024.2/src/qs_moments.F:2299:10:
2299 | IF (my_com_nl) THEN
@@ -61248,30 +61520,6 @@
2248 | LOGICAL :: my_com_nl, my_velreprs
| ^
note: 'my_com_nl' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_gpw_forces.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/metadynamics.F:377:69:
-
- 377 | REAL(kind=dp) :: check_val, diff_ss, dt, ekin_w, fac_t, &
- | ^
-note: 'check_val' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'colvar_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology_constraint_util.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/topology_constraint_util.F topology_constraint_util.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'averages_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_constraint_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology_constraint_util.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_cdft_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 May 3 07:32:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/averages_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' averages_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ks_apply_restraints.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ks_apply_restraints.F qs_ks_apply_restraints.F90
/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:441:16:
441 | IF (jatom == last_jatom) THEN
@@ -61282,9 +61530,6 @@
340 | 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 May 3 07:32:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_apply_restraints.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ks_apply_restraints.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'metadynamics.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/src/qs_moments.F:236:16:
236 | IF (jatom == last_jatom) THEN
@@ -61295,96 +61540,62 @@
134 | last_jatom, lda, ldab, ldb, M_dim, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, sgfa, &
| ^
note: 'last_jatom' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_fhxc_forces.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:3373:97:
-
- 3373 | ALLOCATE (req_total(COUNT(mixed_cdft%dlb_control%recv_work_repl) + 2*COUNT(touched)))
- | ^
-Warning: 'touched.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:2736:89:
-
- 2736 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched
- | ^
-note: 'touched.dim[0].ubound' was declared here
-/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:3421:13:
-
- 3421 | IF (ANY(mask_send)) THEN
- | ^
-Warning: 'mask_send.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:2736:80:
-
- 2736 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched
- | ^
-note: 'mask_send.dim[0].ubound' was declared here
-/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:3438:13:
-
- 3438 | IF (ANY(mask_recv)) THEN
- | ^
-Warning: 'mask_recv.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:2736:69:
-
- 2736 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched
- | ^
-note: 'mask_recv.dim[0].ubound' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_moments.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_op.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_op.F qs_linres_op.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_efield_berry.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_efield_berry.F qs_efield_berry.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_efield_local.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_efield_local.F qs_efield_local.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'iao_analysis.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/iao_analysis.F iao_analysis.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'efield_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/efield_utils.F 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 May 3 07:32:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_op.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_berry.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_efield_berry.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_local.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iao_analysis.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' efield_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molecular_moments.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/molecular_moments.F 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 May 3 07:32:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_moments.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' molecular_moments.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_op.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_op.F qs_linres_op.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ex_property_calculation.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ex_property_calculation.F ex_property_calculation.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_loc_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_loc_methods.F qs_loc_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'molecular_moments.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/molecular_moments.F molecular_moments.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'efield_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/efield_utils.F 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="\"Tue Apr 1 03:43:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_berry.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_efield_berry.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'iao_analysis.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_local.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_op.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ex_property_calculation.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_moments.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' molecular_moments.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ec_efield_local.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_efield_local.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ec_efield_local.F90
-/build/reproducible-path/cp2k-2024.2/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]
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iao_analysis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' iao_analysis.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'bse_util.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_efield_local.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' bse_util.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_properties.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_properties.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_properties.F90
-/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:2634:74:
-
- 2634 | my_work_size, natom, bo, bo_conf)
- | ^
-Warning: 'my_work_size' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mixed_cdft_methods.F:2285:44:
-
- 2285 | jatom, katom, my_work, my_work_size, natom, nforce_eval, nkind, np(3), npme, nthread, &
- | ^
-note: 'my_work_size' was declared here
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_properties.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_properties.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_vcd_ao.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_vcd_ao.F qs_vcd_ao.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd_ao.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd_ao.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_vcd_ao.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dcdr_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dcdr_utils.F qs_dcdr_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ex_property_calculation.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ex_property_calculation.F ex_property_calculation.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ex_property_calculation.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ex_property_calculation.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_delta_pulse.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dcdr_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_efield_local.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ex_property_calculation.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'molecular_moments.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_delta_pulse.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/emd/' rt_delta_pulse.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'efield_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ec_efield_local.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_propagation_velocity_gauge.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rt_propagation_velocity_gauge.F rt_propagation_velocity_gauge.F90
/build/reproducible-path/cp2k-2024.2/src/qs_efield_berry.F:687:85:
687 | REAL(dp), DIMENSION(:, :, :), POINTER :: dcosab, dsinab, force_tmp
@@ -61403,13 +61614,15 @@
686 | REAL(dp), DIMENSION(:, :), POINTER :: cosab, iblock, rblock, sinab, work
| ^
note: 'work.data' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'constraint.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'averages_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="\"Tue Apr 1 03:43:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_velocity_gauge.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rt_propagation_velocity_gauge.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_op.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_delta_pulse.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:14 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_delta_pulse.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/emd/' rt_delta_pulse.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_atom_current.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_atom_current.F qs_linres_atom_current.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_nmr_shift.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_atom_current.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_shift.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_nmr_shift.F90
/build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_properties.F:1154:28:
1154 | SUBROUTINE project_vector(vin, vout, mos_occ, matrix_s)
@@ -61420,28 +61633,9 @@
1203 | SUBROUTINE vec_product(va, vb, res)
| ^
Warning: 'vec_product' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology_constraint_util.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_op.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ks_apply_restraints.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_efield_local.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'efield_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'molecular_moments.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_loc_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ec_efield_local.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_epr_ownutils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_epr_ownutils.F qs_linres_epr_ownutils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_nmr_shift.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:14 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_ownutils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:14 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_shift.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_ownutils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_epr_ownutils.F90
/build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_properties.F:840:64:
840 | CALL sort(weights_neg_abs_recv, INT(nexcs), inds)
@@ -61462,14 +61656,12 @@
661 | weights_recv
| ^
note: 'weights_recv.dim[0].ubound' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ex_property_calculation.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_loc_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'bse_util.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_delta_pulse.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_propagation_velocity_gauge.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:15 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_velocity_gauge.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rt_propagation_velocity_gauge.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'force_env_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:15 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' force_env_utils.F90
/build/reproducible-path/cp2k-2024.2/src/qs_efield_berry.F:516:96:
516 | dcosab(:, :, i), dsinab(:, :, i), ldab, work, ldab)
@@ -61480,61 +61672,22 @@
204 | REAL(dp), DIMENSION(:, :), POINTER :: cosab, iblock, rblock, sinab, work
| ^
note: 'work.data' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'md_environment_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:15 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_environment_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' md_environment_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'topology.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:15 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' topology.F90
-/build/reproducible-path/cp2k-2024.2/src/hfx_ri_kp.F:3696:113:
-
- 3696 | tensor_dims=[1, SIZE(bsizes_RI_ext_split), batch_size*SIZE(ri_data%bsizes_AO_split)])
- | ^
-Warning: 'batch_size' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/hfx_ri_kp.F:3619:70:
-
- 3619 | INTEGER :: batch_size, handle, i_img, i_RI, i_spin, &
- | ^
-note: 'batch_size' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_atom_current.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_atom_current.F 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 May 3 07:32:16 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_atom_current.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_atom_current.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_loc_main.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:16 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_loc_main.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'bse_util.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_properties.mod' due to: target does not exist
-true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'bse_full_diag.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_loc_main.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dcdr_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_epr_ownutils.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="\"Tue Apr 1 03:43:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_full_diag.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' bse_full_diag.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_properties.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_nmr_shift.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mixed_cdft_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'md_environment_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_epr_ownutils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_delta_pulse.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_efield_berry.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'free_energy_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/free_energy_methods.F free_energy_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'bse_full_diag.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:17 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/free_energy_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:17 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_full_diag.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' bse_full_diag.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'md_conserved_quantities.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/md_conserved_quantities.F 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 May 3 07:32:17 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_conserved_quantities.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' md_conserved_quantities.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'integrator_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/integrator_utils.F 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 May 3 07:32:17 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' integrator_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'wiener_process.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/wiener_process.F wiener_process.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'glbopt_callback.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/glbopt_callback.F 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 May 3 07:32:17 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/wiener_process.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' wiener_process.F90
/build/reproducible-path/cp2k-2024.2/src/qs_vcd_ao.F:2400:69:
2400 | !$ hash = MOD((iatom - 1)*natom + jatom, nlock) + 1
@@ -61545,123 +61698,37 @@
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="\"Sun May 3 07:32:17 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/glbopt_callback.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' glbopt_callback.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'reftraj_util.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/reftraj_util.F 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 May 3 07:32:17 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' reftraj_util.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'topology.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_efield_berry.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'bse_full_diag.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'bse_main.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/bse_main.F bse_main.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'iao_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="\"Tue Apr 1 03:43:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' bse_main.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_loc_main.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'bse_full_diag.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'force_env_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'glbopt_callback.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'wiener_process.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'glbopt_master.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/swarm/glbopt_master.F glbopt_master.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_subsys_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp_subsys_methods.F cp_subsys_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_loc_states.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_master.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' 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 May 3 07:32:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_states.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_loc_states.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'bse_main.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' bse_main.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'md_conserved_quantities.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mdctrl_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mdctrl_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' mdctrl_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'free_energy_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'reftraj_util.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'glbopt_master.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'swarm_master.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_master.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_states.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_loc_states.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'bse_main.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mdctrl_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_subsys_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'embed_environment.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/embed_environment.F embed_environment.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_environment.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_environment.F fist_environment.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_subsys_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_subsys_methods.F qs_subsys_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mixed_environment.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mixed_environment.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'nnp_environment.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/nnp_environment.F nnp_environment.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ipi_environment.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' nnp_environment.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'eip_environment.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/eip_environment.F eip_environment.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' eip_environment.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'integrator_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'swarm_master.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'embed_environment.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_ri_kp.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_admm_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_admm_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_admm_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_loc_states.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'embed_main.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/embed_main.F embed_main.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' embed_main.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'localization_tb.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/localization_tb.F localization_tb.F90
-/build/reproducible-path/cp2k-2024.2/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]
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"localization_tb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' localization_tb.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mixed_environment.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_subsys_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mixed_main.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mixed_main.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pwdft_environment.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pwdft_environment.F 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="\"Sun May 3 07:32:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pwdft_environment.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_environment.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'embed_main.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'ipi_environment.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'eip_environment.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="\"Tue Apr 1 03:43:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"localization_tb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' localization_tb.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'localization_tb.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mixed_main.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_atom_current.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_current.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_current.F90
/build/reproducible-path/cp2k-2024.2/src/qs_vcd_ao.F:1994:69:
1994 | !$ hash = MOD((iatom - 1)*natom + jatom, nlock) + 1
@@ -61672,64 +61739,6 @@
1868 | kbc, kkind, na, natom, nb, nkind, np, &
| ^
note: 'natom' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pwdft_environment.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/src/nnp_environment.F:645:107:
-
- 645 | 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-2024.2/src/nnp_environment.F:260:67:
-
- 260 | unit_nr
- | ^
-note: 'unit_nr' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'localization_tb.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'nnp_environment.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'helium_nnp.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_nnp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' helium_nnp.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_atom_current.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_current.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_current.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'helium_nnp.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/src/rt_propagation_velocity_gauge.F:146:56:
-
- 146 | CALL get_ks_env(ks_env=ks_env, kpoints=kpoints)
- | ^
-Warning: 'ks_env' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/rt_propagation_velocity_gauge.F:116:66:
-
- 116 | TYPE(qs_ks_env_type), POINTER :: ks_env
- | ^
-note: 'ks_env' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_propagation_velocity_gauge.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_ri_kp.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_admm_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_admm_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_admm_utils.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'qs_linres_current.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'transport.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' transport.F90
/build/reproducible-path/cp2k-2024.2/src/hfx_admm_utils.F:1397:31:
1397 | energy%ex = ehfx + ehfxrt
@@ -61750,29 +61759,49 @@
970 | REAL(dp) :: eh1, ehfx, eold
| ^
note: 'ehfx' declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'transport.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_admm_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ks_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ks_utils.F qs_ks_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rtp_admm_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rtp_admm_methods.F rtp_admm_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ks_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ks_utils.F qs_ks_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ed_analysis.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ed_analysis.F ed_analysis.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_operators.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rtp_admm_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ed_analysis.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_operators.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_operators.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rtp_admm_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ed_analysis.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_operators.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_operators.F90
+/build/reproducible-path/cp2k-2024.2/src/rt_propagation_velocity_gauge.F:146:56:
+
+ 146 | CALL get_ks_env(ks_env=ks_env, kpoints=kpoints)
+ | ^
+Warning: 'ks_env' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/rt_propagation_velocity_gauge.F:116:66:
+
+ 116 | TYPE(qs_ks_env_type), POINTER :: ks_env
+ | ^
+note: 'ks_env' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_propagation_velocity_gauge.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'rtp_admm_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_operators.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_fhxc.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:35 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:43:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_fhxc.F90
/build/reproducible-path/cp2k-2024.2/src/qs_ks_utils.F:1377:67:
1377 | csign*cdft_control%strength(igroup))
@@ -61803,16 +61832,11 @@
769 | REAL(kind=dp) :: ener, full_scaling, scaling
| ^
note: 'full_scaling' was declared here
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/qs_vcd_ao.F:1565:81:
-
- 1565 | kbc, kkind, na, natom, nb, nkind, np, &
- | ^
-note: 'natom' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_current.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'transport.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' transport.F90
/build/reproducible-path/cp2k-2024.2/src/ed_analysis.F:143:65:
143 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: atdet, atmul, mcharge, mweight
@@ -61833,91 +61857,58 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ks_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:37 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:43:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ks_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_fhxc.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ed_analysis.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/qs_vcd_ao.F:203:76:
-
- 203 | kkind, na, natom, nb, nkind, np, slot
- | ^
-note: 'natom' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'transport.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ks_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_diagonalization.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_scf_diagonalization.F qs_scf_diagonalization.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_electric_field_gradient.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_electric_field_gradient.F qs_electric_field_gradient.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_energy_init.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_energy_init.F qs_energy_init.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_basis_gradient.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_basis_gradient.F qs_basis_gradient.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_local_properties.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_local_properties.F qs_local_properties.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ks_reference.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ks_reference.F qs_ks_reference.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_kpp1_env_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_kpp1_env_methods.F qs_kpp1_env_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_ks_reference.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_ks_reference.F qs_ks_reference.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_energy_init.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_energy_init.F qs_energy_init.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_electric_field_gradient.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_electric_field_gradient.F qs_electric_field_gradient.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_local_properties.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_local_properties.F qs_local_properties.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_post_se.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_diagonalization.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_diagonalization.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_gradient.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_reference.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_ks_reference.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'almo_scf_qs.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F 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="\"Tue Apr 1 03:43:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_electric_field_gradient.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_properties.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_local_properties.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_tdp_correction.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_energy_init.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_epr_nablavks.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_electric_field_gradient.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_properties.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_gradient.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_reference.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_correction.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_se.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_nablavks.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_epr_nablavks.F90
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/qs_vcd_ao.F:1100:29:
-
- 1100 | nsetb, nthread, sgfa, sgfb
- | ^
-note: 'sgfa' was declared here
-/build/reproducible-path/cp2k-2024.2/src/qs_vcd_ao.F:1436:41:
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_se.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_qs.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_correction.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_tdp_correction.F90
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:249:47:
- 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-2024.2/src/qs_vcd_ao.F:1100:35:
+ 249 | ALLOCATE (distr_new_array(nlength))
+ | ^
+Warning: 'nlength' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:130:81:
- 1100 | nsetb, nthread, sgfa, sgfb
- | ^
-note: 'sgfb' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'almo_scf_qs.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F 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="\"Sun May 3 07:32:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_qs.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' almo_scf_qs.F90
+ 130 | nblkrows_tot, nlength, nmols, row
+ | ^
+note: 'nlength' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_epr_nablavks.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:31 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_nablavks.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_epr_nablavks.F90
/build/reproducible-path/cp2k-2024.2/src/qs_electric_field_gradient.F:332:52:
332 | efg_pw(:, :, :) = efg_pw(:, :, :)*efg_units
@@ -61930,28 +61921,62 @@
note: 'efg_pw.dim[2].ubound' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_local_properties.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:1308:63:
+
+ 1308 | rvdw=contact1_radius)
+ | ^
+Warning: 'contact_atom_1' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:845:36:
+
+ 845 | INTEGER :: col, contact_atom_1, contact_atom_2, domain_col, domain_map_local_entries, &
+ | ^
+note: 'contact_atom_1' was declared here
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:1310:63:
+
+ 1310 | rvdw=contact2_radius)
+ | ^
+Warning: 'contact_atom_2' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:845:52:
+
+ 845 | INTEGER :: col, contact_atom_1, contact_atom_2, domain_col, domain_map_local_entries, &
+ | ^
+note: 'contact_atom_2' was declared here
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:1338:22:
+
+ 1338 | IF (distance .LT. r1) THEN
+ | ^
+Warning: 'distance' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:860:68:
+
+ 860 | distance, distance_squared, overlap, &
+ | ^
+note: 'distance' was declared here
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:1192:22:
+
+ 1192 | IF (overlap .EQ. 0.0_dp) THEN
+ | ^
+Warning: 'overlap' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:860:95:
+
+ 860 | distance, distance_squared, overlap, &
+ | ^
+note: 'overlap' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_basis_gradient.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_outer_scf.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_outer_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_outer_scf.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_ks_reference.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_outer_scf.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_outer_scf.F qs_outer_scf.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'hfx_exx.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/hfx_exx.F hfx_exx.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_exx.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_exx.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_forces.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_forces.F qs_tddfpt2_forces.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_electric_field_gradient.mod' due to: target does not exist
-true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_outer_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_outer_scf.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_post_se.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_kpp1_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="\"Tue Apr 1 03:43:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_exx.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' hfx_exx.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_forces.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_forces.F qs_tddfpt2_forces.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_energy_init.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_p_env_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_forces.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_p_env_methods.F90
/build/reproducible-path/cp2k-2024.2/src/xas_tdp_correction.F:516:46:
516 | nbatch_occ = MAX(1, nblk_occ/batch_size)
@@ -61972,13 +61997,22 @@
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-2024.2/Makefile:560: update target 'qs_linres_epr_nablavks.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_energy_init.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_electric_field_gradient.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'optbas_fenv_manipulation.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_fenv_manipulation.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_forces.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_forces.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_fenv_manipulation.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' optbas_fenv_manipulation.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_p_env_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_p_env_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'almo_scf_qs.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'almo_scf_optimizer.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_optimizer.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' almo_scf_optimizer.F90
/build/reproducible-path/cp2k-2024.2/src/qs_outer_scf.F:482:44:
482 | ddapc_restraint_control%strength
@@ -61989,6 +62023,8 @@
453 | TYPE(ddapc_restraint_type), POINTER :: ddapc_restraint_control
| ^
note: 'ddapc_restraint_control' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_diagonalization.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/qs_outer_scf.F:415:88:
415 | ddapc_restraint_control%strength = scf_env%outer_scf%variables(1, ihistory + 1)
@@ -61999,66 +62035,17 @@
395 | TYPE(ddapc_restraint_type), POINTER :: ddapc_restraint_control
| ^
note: 'ddapc_restraint_control' was declared here
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:249:47:
-
- 249 | ALLOCATE (distr_new_array(nlength))
- | ^
-Warning: 'nlength' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:130:81:
-
- 130 | nblkrows_tot, nlength, nmols, row
- | ^
-note: 'nlength' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_vcd_ao.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_vcd_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_vcd_utils.F qs_vcd_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_diagonalization.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_mom_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:46 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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 May 3 07:32:46 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_mom_methods.F90
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:1308:63:
-
- 1308 | rvdw=contact1_radius)
- | ^
-Warning: 'contact_atom_1' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:845:36:
-
- 845 | INTEGER :: col, contact_atom_1, contact_atom_2, domain_col, domain_map_local_entries, &
- | ^
-note: 'contact_atom_1' was declared here
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:1310:63:
-
- 1310 | rvdw=contact2_radius)
- | ^
-Warning: 'contact_atom_2' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:845:52:
-
- 845 | INTEGER :: col, contact_atom_1, contact_atom_2, domain_col, domain_map_local_entries, &
- | ^
-note: 'contact_atom_2' was declared here
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:1338:22:
-
- 1338 | IF (distance .LT. r1) THEN
- | ^
-Warning: 'distance' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:860:68:
-
- 860 | distance, distance_squared, overlap, &
- | ^
-note: 'distance' was declared here
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:1192:22:
-
- 1192 | IF (overlap .EQ. 0.0_dp) THEN
- | ^
-Warning: 'overlap' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/almo_scf_qs.F:860:95:
-
- 860 | distance, distance_squared, overlap, &
- | ^
-note: 'overlap' 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="\"Tue Apr 1 03:43:35 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_mom_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'optbas_fenv_manipulation.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_epr_nablavks.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_exx.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_rse.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rpa_rse.F rpa_rse.F90
/build/reproducible-path/cp2k-2024.2/src/qs_outer_scf.F:143:84:
143 | scf_env%outer_scf%variables(:, ihistory) = ddapc_restraint_control%strength
@@ -62069,44 +62056,12 @@
111 | TYPE(ddapc_restraint_type), POINTER :: ddapc_restraint_control
| ^
note: 'ddapc_restraint_control' 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="\"Tue Apr 1 03:43:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_rse.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_rse.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_outer_scf.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_environment_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_environment_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'almo_scf_qs.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'almo_scf_optimizer.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_optimizer.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' almo_scf_optimizer.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'hfx_exx.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_rse.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rpa_rse.F rpa_rse.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_mom_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_initial_guess.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_initial_guess.F qs_initial_guess.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_loop_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_rse.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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 May 3 07:32:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_loop_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_scf_loop_utils.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_initial_guess.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_initial_guess.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'optbas_fenv_manipulation.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_p_env_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_kernel.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_kernel.F qs_linres_kernel.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_2nd_kernel_ao.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_2nd_kernel_ao.F qs_2nd_kernel_ao.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:48 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_kernel.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:48 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt_utils.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:48 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_2nd_kernel_ao.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_2nd_kernel_ao.F90
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_environment_methods.F90
/build/reproducible-path/cp2k-2024.2/src/almo_scf_optimizer.F:3222:25:
3222 | SUBROUTINE split_v_blk(almo_scf_env)
@@ -62122,34 +62077,27 @@
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-2024.2/Makefile:560: update target 'qs_environment_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_vcd_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_rse.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_loop_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_mom_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_forces.F:765:53:
-
- 765 | total_rho=rhotot)
- | ^
-Warning: 'trho_xc_g.data' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_forces.F:677:69:
-
- 677 | trho_xc_g
- | ^
-note: 'trho_xc_g.data' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt_utils.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_initial_guess.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_initial_guess.F qs_initial_guess.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_loop_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_loop_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_scf_loop_utils.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_initial_guess.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_initial_guess.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_p_env_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt_eigensolver.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt_eigensolver.F qs_tddfpt_eigensolver.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt_eigensolver.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_2nd_kernel_ao.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_2nd_kernel_ao.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_2nd_kernel_ao.F qs_2nd_kernel_ao.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_kernel.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_kernel.F qs_linres_kernel.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_2nd_kernel_ao.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_2nd_kernel_ao.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_tdp_correction.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_cphf.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_cphf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:43:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_kernel.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:37 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt_utils.F90
/build/reproducible-path/cp2k-2024.2/src/almo_scf_optimizer.F:7374:34:
7374 | my_numer = my_numer + num
@@ -62170,6 +62118,32 @@
7285 | REAL(KIND=dp) :: den, kappa, my_denom, my_numer, &
| ^
note: 'den' declared here
+/build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_forces.F:765:53:
+
+ 765 | total_rho=rhotot)
+ | ^
+Warning: 'trho_xc_g.data' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_forces.F:677:69:
+
+ 677 | trho_xc_g
+ | ^
+note: 'trho_xc_g.data' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_environment_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_rse.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_2nd_kernel_ao.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_cphf.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_cphf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_cphf.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt_eigensolver.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt_eigensolver.F qs_tddfpt_eigensolver.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:38 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt_eigensolver.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_loop_utils.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_forces.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/qs_initial_guess.F:465:13:
@@ -62192,55 +62166,37 @@
180 | CHARACTER :: mode
| ^
note: 'mode[1]{lb: 1 sz: 1}' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/qs_vcd_ao.F:1565:81:
+
+ 1565 | kbc, kkind, na, natom, nb, nkind, np, &
+ | ^
+note: 'natom' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_initial_guess.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dm_ls_scf_qs.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dm_ls_scf_qs.F dm_ls_scf_qs.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_initialization.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_qs.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_initialization.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:43:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_qs.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_initialization.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_scf_initialization.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt_eigensolver.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt_module.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_module.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt_module.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_module.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt_module.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_kernel.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_methods.F qs_linres_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ec_orth_solver.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ec_orth_solver.F 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 May 3 07:32:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_orth_solver.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:52 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt_module.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'dm_ls_scf_qs.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pexsi_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pexsi_methods.F pexsi_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_param_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_param_methods.F pao_param_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dm_ls_scf_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dm_ls_scf_methods.F dm_ls_scf_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dm_ls_chebyshev.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dm_ls_chebyshev.F 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="\"Sun May 3 07:32:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_chebyshev.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' dm_ls_chebyshev.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_initialization.mod' due to: target does not exist
-true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_orth_solver.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' ec_orth_solver.F90
/build/reproducible-path/cp2k-2024.2/src/almo_scf_optimizer.F:2046:64:
2046 | TYPE(dbcsr_type), ALLOCATABLE, DIMENSION(:, :, :) :: m_B0
@@ -62272,93 +62228,32 @@
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-2024.2/src/dm_ls_scf_methods.F:888:56:
-
- 888 | xi = (scaled_homo_bound - scaled_lumo_bound)
- | ^
-Warning: 'scaled_homo_bound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/dm_ls_scf_methods.F:745:70:
-
- 745 | mu_a, mu_b, mu_c, mu_fa, mu_fc, occ_matrix, scaled_homo_bound, scaled_lumo_bound, t1, t2, &
- | ^
-note: 'scaled_homo_bound' was declared here
-/build/reproducible-path/cp2k-2024.2/src/dm_ls_scf_methods.F:888:56:
-
- 888 | xi = (scaled_homo_bound - scaled_lumo_bound)
- | ^
-Warning: 'scaled_lumo_bound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/dm_ls_scf_methods.F:745:89:
-
- 745 | 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-2024.2/Makefile:560: update target 'ec_orth_solver.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dm_ls_scf_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pexsi_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'response_solver.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/response_solver.F response_solver.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_mfp.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_mfp.F qs_mfp.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_issc_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_issc_utils.F qs_linres_issc_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_vcd.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_vcd.F qs_vcd.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_current_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_current_utils.F qs_linres_current_utils.F90
-/build/reproducible-path/cp2k-2024.2/src/dm_ls_chebyshev.F:115:90:
-
- 115 | REAL(KIND=dp) :: chev_T, chev_T_dos, dummy1, final, frob_matrix, initial, interval_a, &
- | ^
-Warning: 'interval_a' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/dm_ls_chebyshev.F:116:19:
-
- 116 | interval_b, max_ev, min_ev, occ, orbital_occ, summa, t1, t2
- | ^
-Warning: 'interval_b' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/dm_ls_chebyshev.F:119:69:
-
- 119 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: aitchev_T, E_inte, gdensity, sqrt_vec
- | ^
-Warning: 'aitchev_t.offset' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/dm_ls_chebyshev.F:119:69: Warning: 'aitchev_t.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dcdr.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dcdr.F qs_dcdr.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_polar_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:32:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"response_solver.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mfp.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_issc_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_vcd.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:32:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_polar_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_polar_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dm_ls_chebyshev.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt_module.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/src/mp2_cphf.F:518:41:
+/build/reproducible-path/cp2k-2024.2/src/mp2_cphf.F:1238:99:
- 518 | mp2_env%p_screen = restore_p_screen
- | ^
-Warning: 'restore_p_screen' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_cphf.F:178:92:
+ 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-2024.2/src/mp2_cphf.F:1044:70:
- 178 | do_exx, do_hfx, restore_p_screen
- | ^
-note: 'restore_p_screen' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_param_methods.mod' due to: target does not exist
+ 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-2024.2/Makefile:560: update target 'dm_ls_scf_qs.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_param_exp.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_param_exp.F pao_param_exp.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_param_linpot.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_linpot.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:32:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_exp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_param_exp.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_param_gth.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_param_gth.F pao_param_gth.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pexsi_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pexsi_methods.F pexsi_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_param_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_param_methods.F pao_param_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dm_ls_scf_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pexsi_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dm_ls_chebyshev.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/dm_ls_chebyshev.F 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="\"Tue Apr 1 03:43:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_chebyshev.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' dm_ls_chebyshev.F90
/build/reproducible-path/cp2k-2024.2/src/almo_scf_optimizer.F:1321:84:
1321 | DO idim0 = 1, SIZE(op_sm_set_qs, 2) ! this loop is over miller ind
@@ -62424,7 +62319,6 @@
1832 | g1 = appr_sec_der*step_size + g0
| ^
Warning: 'g0' 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 May 3 07:32:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_gth.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_param_gth.F90
/build/reproducible-path/cp2k-2024.2/src/almo_scf_optimizer.F:890:61:
890 | energy_new, energy_old, eps_skip_gradients, fval, g0, g1, grad_norm, grad_norm_frob, &
@@ -62440,31 +62334,103 @@
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-2024.2/src/qs_mfp.F:1348:13:
+/build/reproducible-path/cp2k-2024.2/src/dm_ls_scf_methods.F:888:56:
- 1348 | IF (jatom == last_jatom) THEN
- | ^
-Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qs_mfp.F:1270:84:
+ 888 | xi = (scaled_homo_bound - scaled_lumo_bound)
+ | ^
+Warning: 'scaled_homo_bound' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/dm_ls_scf_methods.F:745:70:
- 1270 | jatom, jkind, last_jatom, mepos, &
- | ^
-note: 'last_jatom' was declared here
+ 745 | mu_a, mu_b, mu_c, mu_fa, mu_fc, occ_matrix, scaled_homo_bound, scaled_lumo_bound, t1, t2, &
+ | ^
+note: 'scaled_homo_bound' was declared here
+/build/reproducible-path/cp2k-2024.2/src/dm_ls_scf_methods.F:888:56:
+
+ 888 | xi = (scaled_homo_bound - scaled_lumo_bound)
+ | ^
+Warning: 'scaled_lumo_bound' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/dm_ls_scf_methods.F:745:89:
+
+ 745 | 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-2024.2/Makefile:560: update target 'ec_orth_solver.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_initialization.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pexsi_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/src/dm_ls_chebyshev.F:115:90:
+
+ 115 | REAL(KIND=dp) :: chev_T, chev_T_dos, dummy1, final, frob_matrix, initial, interval_a, &
+ | ^
+Warning: 'interval_a' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/dm_ls_chebyshev.F:116:19:
+
+ 116 | interval_b, max_ev, min_ev, occ, orbital_occ, summa, t1, t2
+ | ^
+Warning: 'interval_b' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/dm_ls_chebyshev.F:119:69:
+
+ 119 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: aitchev_T, E_inte, gdensity, sqrt_vec
+ | ^
+Warning: 'aitchev_t.offset' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/dm_ls_chebyshev.F:119:69: Warning: 'aitchev_t.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dm_ls_scf_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'response_solver.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/response_solver.F response_solver.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_issc_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_issc_utils.F qs_linres_issc_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_polar_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_polar_utils.F qs_linres_polar_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_current_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_current_utils.F qs_linres_current_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_dcdr.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_dcdr.F 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="\"Tue Apr 1 03:43:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"response_solver.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_issc_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_polar_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_polar_utils.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_current_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dm_ls_chebyshev.mod' due to: target does not exist
+true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_dcdr.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'pao_param_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_param_gth.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_param_gth.F pao_param_gth.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_param_equi.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_param_equi.F 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="\"Tue Apr 1 03:43:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_gth.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_equi.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_param_equi.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_param_linpot.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_linpot.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_param_linpot.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_param_exp.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_param_exp.F 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="\"Tue Apr 1 03:43:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_exp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_param_exp.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_cphf.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dcdr.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'almo_scf_optimizer.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_polar_utils.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'md_energies.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:57 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_equi.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:32:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_energies.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' md_energies.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_mfp.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:45 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_energies.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' md_energies.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_dcdr.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/qs_linres_current_utils.F:1131:56:
@@ -62480,12 +62446,22 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_issc_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'almo_scf_optimizer.mod' due to: target does not exist
-true
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/qs_vcd_ao.F:203:76:
+
+ 203 | kkind, na, natom, nb, nkind, np, slot
+ | ^
+note: 'natom' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_param_linpot.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_param_exp.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_current_utils.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/motion/md_energies.F:370:46:
370 | (simpar%v0 - cell%deth)
@@ -62496,18 +62472,53 @@
265 | pv_scalar, pv_xx, pv_xx_nc
| ^
note: 'pv_xx_nc' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/src/qs_vcd_ao.F:1100:29:
+
+ 1100 | nsetb, nthread, sgfa, sgfb
+ | ^
+note: 'sgfa' was declared here
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/qs_vcd_ao.F:1100:35:
+
+ 1100 | nsetb, nthread, sgfa, sgfb
+ | ^
+note: 'sgfb' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'md_energies.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_current_utils.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_module.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:33:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_module.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_module.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_param_equi.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_param.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:43:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_param.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_param.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_io.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_io.F90
/build/reproducible-path/cp2k-2024.2/src/response_solver.F:875:79:
875 | TYPE(pw_r3d_rs_type), DIMENSION(:), POINTER :: rho_r_aux, rho_r_gs, rho_r_t, rhoz_r, &
@@ -62548,30 +62559,52 @@
835 | eps_ppnl, exc, exc_aux_fit, fconv, &
| ^
note: 'exc_aux_fit' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_param.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_io.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:03 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_io.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_module.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_vcd_ao.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_vcd_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:50 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_vcd_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_io.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_ml.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_ml.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_vcd_utils.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_vcd.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_vcd.F qs_vcd.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_mfp.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_mfp.F 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="\"Tue Apr 1 03:43:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_vcd.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mfp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_mfp.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_ml.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_methods.F pao_methods.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:52 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'response_solver.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'excited_states.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:33:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"excited_states.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:43:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"excited_states.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' excited_states.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/qs_mfp.F:1270:84:
+
+ 1270 | jatom, jkind, last_jatom, mepos, &
+ | ^
+note: 'last_jatom' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'excited_states.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_ml.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_vcd.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/pao_methods.F pao_methods.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:33:07 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_mfp.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_linres_module.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_linres_module.F qs_linres_module.F90
/build/reproducible-path/cp2k-2024.2/src/pao_methods.F:793:32:
793 | block_X(i, j) = old_Xij
@@ -62592,21 +62625,24 @@
688 | REAL(dp) :: delta, delta_max, eps, Gij_num
| ^
note: 'gij_num' 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="\"Tue Apr 1 03:43:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_module.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_linres_module.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pao_main.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:09 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' pao_main.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pao_main.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dm_ls_scf_create.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:11 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_create.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:43:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_create.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' dm_ls_scf_create.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_linres_module.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dm_ls_scf_create.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_environment.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:33:14 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_environment.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:43:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_environment.F90
/build/reproducible-path/cp2k-2024.2/src/qs_environment.F:1297:87:
1297 | dispersion_env%parameter_file_name = dftb_control%dispersion_parameter_file
@@ -62654,42 +62690,42 @@
note: 'xtb_control' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_environment.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_gamma2kp.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_gamma2kp.F qs_gamma2kp.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_create.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gamma2kp.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:33:21 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_create.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_create.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_gamma2kp.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_create.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gamma2kp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_gamma2kp.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_gamma2kp.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_wannier90.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_wannier90.F qs_wannier90.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_band_structure.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wannier90.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:33:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_band_structure.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:44:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wannier90.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_band_structure.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_band_structure.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_create.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmmx_create.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qmmmx_create.F qmmmx_create.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmmx_update.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:33:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_create.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:33:23 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_update.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:44:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_create.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_update.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmmx_update.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmmx_create.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmmx_update.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_band_structure.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_gw_kpoints_util.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_kpoints_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_gw_kpoints_util.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmmx_update.mod' due to: target does not exist
-true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:44:07 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_kpoints_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_gw_kpoints_util.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_wannier90.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf_post_gpw.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_gpw.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:44:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_gpw.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_scf_post_gpw.F90
/build/reproducible-path/cp2k-2024.2/src/rpa_gw_kpoints_util.F:639:24:
639 | SUBROUTINE get_dummys(tj_dummy, tau_tj_dummy, weights_cos_tf_w_to_t_dummy)
@@ -62718,22 +62754,17 @@
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rpa_gw.F rpa_gw.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_ri_2c.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mp2_ri_2c.F 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 May 3 07:33:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_2c.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:33:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_2c.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_gw.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_util.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_exchange.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rpa_exchange.F rpa_exchange.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_grad.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_exchange.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:33:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_grad.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_grad.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_ri_2c.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_integrals.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_integrals.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_exchange.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rpa_exchange.F 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="\"Tue Apr 1 03:44:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_exchange.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:12 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_grad.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_grad.F90
/build/reproducible-path/cp2k-2024.2/src/rpa_exchange.F:936:106:
936 | CALL para_env%sendrecv(send_virt_indices(1:virt_counter), send_proc, recv_row_indices, recv_proc)
@@ -62744,6 +62775,11 @@
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-2024.2/Makefile:560: update target 'mp2_ri_2c.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_integrals.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:14 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_integrals.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_integrals.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_exchange.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/qs_scf_post_gpw.F:767:13:
@@ -62766,18 +62802,38 @@
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_utils.F qs_tddfpt2_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_propagation_output.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:35 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:33:35 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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 May 3 07:33:35 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:33:35 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_output.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/emd/' rt_propagation_output.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:44:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:44:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_output.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/emd/' rt_propagation_output.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf_post_scf.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_scf.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_scf.F qs_scf.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'almo_scf.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/almo_scf.F 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 May 3 07:33:36 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:36 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' almo_scf.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/src/mp2_integrals.F:907:39:
+
+ 907 | END SUBROUTINE mp2_ri_gpw_compute_in
+ | ^
+Warning: 'intermed_mat_gw.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/mp2_integrals.F:289:89:
+
+ 289 | DIMENSION(:) :: intermed_mat, intermed_mat_gw
+ | ^
+note: 'intermed_mat_gw.dim[0].ubound' was declared here
/build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_utils.F:974:93:
974 | nstates_selected = DOT_PRODUCT(nmo_occ_selected(1:nspins), nmo_virt_selected(1:nspins))
@@ -62803,26 +62859,6 @@
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-2024.2/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-2024.2/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-2024.2/src/mp2_integrals.F:907:39:
-
- 907 | END SUBROUTINE mp2_ri_gpw_compute_in
- | ^
-Warning: 'intermed_mat_gw.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/mp2_integrals.F:289:89:
-
- 289 | DIMENSION(:) :: intermed_mat, intermed_mat_gw
- | ^
-note: 'intermed_mat_gw.dim[0].ubound' was declared here
/build/reproducible-path/cp2k-2024.2/src/dm_ls_scf.F:637:63:
637 | extra_scf = maxscf_reached .OR. scf_converged
@@ -62847,23 +62883,19 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_eigensolver.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:37 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_eigensolver.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_propagation_output.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_propagation_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_eigensolver.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dm_ls_scf.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'energy_corrections.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/energy_corrections.F 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 May 3 07:33:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"energy_corrections.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' energy_corrections.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_grad.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="\"Tue Apr 1 03:44:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"energy_corrections.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' energy_corrections.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_propagation_output.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_im_time_force_types.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_propagation_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/emd/' rt_propagation_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_grad.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_im_time_force_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/rpa_im_time_force_methods.F rpa_im_time_force_methods.F90
/build/reproducible-path/cp2k-2024.2/src/rpa_gw.F:4856:55:
4856 | energy_val = qp_energy - e_fermi - hedin_shift
@@ -62884,7 +62916,8 @@
4348 | level_energ_GW_start, omega, &
| ^
note: 'level_energ_gw_start' 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 May 3 07:33:39 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time_force_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_im_time_force_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_integrals.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/rpa_gw.F:3841:63:
3841 | /REAL(degeneracy, KIND=dp)
@@ -62895,8 +62928,6 @@
3789 | 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-2024.2/Makefile:560: update target 'mp2_integrals.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/src/qs_scf.F:1644:34:
1644 | alpha = alpha_ls
@@ -62907,13 +62938,13 @@
1439 | REAL(KIND=dp) :: alpha, alpha_ls, factor, norm_ls
| ^
note: 'alpha_ls' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_eigensolver.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_propagation_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_propagator_init.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:40 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagator_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/emd/' rt_propagator_init.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_eigensolver.mod' due to: target does not exist
-true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:44:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagator_init.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/emd/' rt_propagator_init.F90
/build/reproducible-path/cp2k-2024.2/src/qs_scf.F:295:45:
295 | scf_control%max_scf = max_scf_tmp
@@ -62936,46 +62967,46 @@
note: 'outer_scf_loop' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_scf.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_nonscf.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_nonscf.F qs_nonscf.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tip_scan_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tip_scan_methods.F tip_scan_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_fprint.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_fprint.F qs_tddfpt2_fprint.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_tp_scf.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tip_scan_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:33:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nonscf.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fprint.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:33:41 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tp_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_tp_scf.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_nonscf.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_nonscf.F qs_nonscf.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:44:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tip_scan_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fprint.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tp_scf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_tp_scf.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:44:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nonscf.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_nonscf.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_gw.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_gw_sigma_x.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:23 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_sigma_x.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_gw_sigma_x.F90
/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'rpa_gw.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_gw_sigma_x.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:42 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_sigma_x.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_gw_sigma_x.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tip_scan_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'almo_scf.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_propagator_init.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a"
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a rt_propagator_init.o rt_propagation_utils.o rt_delta_pulse.o rt_make_propagators.o rt_propagation_output.o rt_propagation_methods.o rt_projection_mo_utils.o rt_hfx_utils.o
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a rt_propagator_init.o rt_propagation_utils.o rt_delta_pulse.o rt_make_propagators.o rt_hfx_utils.o rt_propagation_output.o rt_projection_mo_utils.o rt_propagation_methods.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'almo_scf.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tip_scan_methods.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_nonscf.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_tddfpt2_fprint.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_tddfpt2_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_tddfpt2_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_tp_scf.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_methods.o' due to: target does not exist
@@ -63050,29 +63081,9 @@
148 | TYPE(kpoint_type), POINTER :: kpoints, kpoints_Sigma
| ^
note: 'kpoints_sigma' 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 May 3 07:33:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' 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="\"Tue Apr 1 03:44:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_gw_sigma_x.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'energy_corrections.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/qs_tddfpt2_methods.F:383:40:
@@ -63091,7 +63102,7 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'xas_tdp_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:29 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' xas_tdp_methods.F90
/build/reproducible-path/cp2k-2024.2/src/xas_tdp_methods.F:1528:41:
1528 | ALLOCATE (my_mos(n_states, nspins))
@@ -63211,18 +63222,43 @@
2474 | REAL(dp), DIMENSION(:), POINTER :: lr_evals
| ^
note: 'lr_evals.dim[0].ubound' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_tdp_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_im_time_force_types.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_im_time_force_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:44:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time_force_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_im_time_force_methods.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/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-2024.2/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-2024.2/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-2024.2/Makefile:560: update target 'rpa_im_time_force_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rpa_main.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:33:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_main.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'xas_tdp_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="\"Tue Apr 1 03:44:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' rpa_main.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rpa_main.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2_gpw.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:34:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_gpw.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:45:02 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mp2_gpw.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2_gpw.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mp2.o' due to: target does not exist
@@ -63231,19 +63267,14 @@
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/gw_utils.F gw_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_active_space_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_active_space_methods.F 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 May 3 07:34:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:06 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_active_space_methods.F90
/build/reproducible-path/cp2k-2024.2/src/gw_utils.F:1185:69:
1185 | my_local=.FALSE.)
| 1
Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation]
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/gw_utils.F:2246:38:
2246 | SUBROUTINE setup_kpoints_scf_desymm(qs_env, bs_env, kpoints, do_print)
@@ -63251,6 +63282,31 @@
Warning: 'setup_kpoints_scf_desymm' defined but not used [-Wunused-function]
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mp2.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/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-2024.2/src/gw_utils.F:1742:40:
+
+ 1742 | E_max = MAX(E_max, E_max_ispin)
+ | ^
+Warning: 'e_max_ispin' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/gw_utils.F:1709:78:
+
+ 1709 | REAL(KIND=dp) :: E_max, E_max_ispin, E_min, E_min_ispin, &
+ | ^
+note: 'e_max_ispin' was declared here
+/build/reproducible-path/cp2k-2024.2/src/gw_utils.F:1741:40:
+
+ 1741 | E_min = MIN(E_min, E_min_ispin)
+ | ^
+Warning: 'e_min_ispin' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/gw_utils.F:1709:98:
+
+ 1709 | REAL(KIND=dp) :: E_max, E_max_ispin, E_min, E_min_ispin, &
+ | ^
+note: 'e_min_ispin' was declared here
/build/reproducible-path/cp2k-2024.2/src/qs_active_space_methods.F:1438:25:
1438 | IF (print1 .AND. iw > 0) THEN
@@ -63317,26 +63373,6 @@
1234 | TYPE(pw_r3d_rs_type), POINTER :: wfn1, wfn2, wfn3, wfn4
| ^
note: 'wfn4' was declared here
-/build/reproducible-path/cp2k-2024.2/src/gw_utils.F:1742:40:
-
- 1742 | E_max = MAX(E_max, E_max_ispin)
- | ^
-Warning: 'e_max_ispin' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/gw_utils.F:1709:78:
-
- 1709 | REAL(KIND=dp) :: E_max, E_max_ispin, E_min, E_min_ispin, &
- | ^
-note: 'e_max_ispin' was declared here
-/build/reproducible-path/cp2k-2024.2/src/gw_utils.F:1741:40:
-
- 1741 | E_min = MIN(E_min, E_min_ispin)
- | ^
-Warning: 'e_min_ispin' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/gw_utils.F:1709:98:
-
- 1709 | REAL(KIND=dp) :: E_max, E_max_ispin, E_min, E_min_ispin, &
- | ^
-note: 'e_min_ispin' was declared here
/build/reproducible-path/cp2k-2024.2/src/gw_utils.F:1383:65:
1383 | ipcol, ipcol_loop, iprow, iprow_loop, &
@@ -63347,16 +63383,16 @@
1383 | ipcol, ipcol_loop, iprow, iprow_loop, &
| ^
Warning: 'iprow' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_active_space_methods.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gw_utils.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gw_small_cell_full_kp.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/gw_small_cell_full_kp.F gw_small_cell_full_kp.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gw_large_cell_gamma.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/gw_large_cell_gamma.F 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 May 3 07:34:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_large_cell_gamma.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_small_cell_full_kp.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' gw_small_cell_full_kp.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gw_small_cell_full_kp.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_small_cell_full_kp.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:11 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_large_cell_gamma.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' gw_large_cell_gamma.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_active_space_methods.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/gw_large_cell_gamma.F:1271:36:
1271 | SUBROUTINE mat_ikp_from_mat_Gamma(mat_ikp_re, mat_ikp_im, mat_Gamma, kpoints, ikp, qs_env)
@@ -63378,36 +63414,36 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gw_main.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/gw_main.F 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 May 3 07:34:17 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:15 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' gw_main.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gw_main.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'post_scf_bandstructure_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:16 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' post_scf_bandstructure_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'post_scf_bandstructure_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_energy_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:19 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:17 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_energy_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_energy_utils.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_energy.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:22 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qs_energy.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_energy.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qs_force.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/qs_force.F qs_force.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mscfg_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mscfg_methods.F mscfg_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'negf_env_types.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/negf_env_types.F negf_env_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mscfg_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mscfg_methods.F mscfg_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'bsse.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:34:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:24 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bsse.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:21 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_env_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:22 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bsse.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' bsse.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mscfg_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'bsse.mod' due to: target does not exist
@@ -63426,17 +63462,12 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'negf_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' negf_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qs_force.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmm_force.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_force.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_force.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmmx_force.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:30 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:25 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmm_force.F90
/build/reproducible-path/cp2k-2024.2/src/negf_methods.F:1398:81:
1398 | gret_gamma_gadv_group
@@ -63453,16 +63484,11 @@
1397 | TYPE(cp_cfm_type), ALLOCATABLE, DIMENSION(:, :) :: gamma_contacts_group, &
| ^
note: 'gamma_contacts_group.offset' was declared here
-/build/reproducible-path/cp2k-2024.2/src/qmmmx_force.F:144:19:
-
- 144 | IF (cur_labels(ip) >= mom_conserv_min_label) &
- | ^
-Warning: 'mom_conserv_min_label' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/qmmmx_force.F:70:85:
-
- 70 | INTEGER :: ip, mom_conserv_min_label, &
- | ^
-note: 'mom_conserv_min_label' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmm_force.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'qmmmx_force.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:27 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_force.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' qmmmx_force.F90
/build/reproducible-path/cp2k-2024.2/src/negf_methods.F:2781:73:
2781 | xnodes(ipoint) = CMPLX(energy_min, negf_control%eta, kind=dp)
@@ -63473,10 +63499,6 @@
2718 | INTEGER :: handle, icontact, ipoint, ispin, &
| ^
note: 'ipoint' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmmx_force.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'force_env_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/force_env_methods.F force_env_methods.F90
/build/reproducible-path/cp2k-2024.2/src/negf_methods.F:2929:73:
2929 | xnodes(ipoint) = CMPLX(energy_min, negf_control%eta, kind=dp)
@@ -63487,7 +63509,21 @@
2875 | INTEGER :: handle, icontact, ipoint, ispin, &
| ^
note: 'ipoint' 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 May 3 07:34:32 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' force_env_methods.F90
+/build/reproducible-path/cp2k-2024.2/src/qmmmx_force.F:144:19:
+
+ 144 | IF (cur_labels(ip) >= mom_conserv_min_label) &
+ | ^
+Warning: 'mom_conserv_min_label' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/qmmmx_force.F:70:85:
+
+ 70 | INTEGER :: ip, mom_conserv_min_label, &
+ | ^
+note: 'mom_conserv_min_label' was declared here
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'qmmmx_force.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'force_env_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:28 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' force_env_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'negf_methods.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/force_env_methods.F:1925:94:
@@ -63544,23 +63580,23 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'fist_main.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/fist_main.F fist_main.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp2k_debug.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp2k_debug.F cp2k_debug.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'ipi_driver.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/ipi_driver.F ipi_driver.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp2k_debug.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/cp2k_debug.F cp2k_debug.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mc_coordinates.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_driver.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_debug.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:38 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_coordinates.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_driver.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_main.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_debug.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:34 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_coordinates.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/mc/' mc_coordinates.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'fist_main.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ipi_driver.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'f77_interface.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:39 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"f77_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' f77_interface.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:45:36 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"f77_interface.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' f77_interface.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'ipi_driver.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp2k_debug.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mc_coordinates.mod' due to: target does not exist
@@ -63582,24 +63618,16 @@
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_calculations.F tmc_calculations.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mc_control.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:34:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_control.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:43 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_calculations.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_calculations.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:39 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_control.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/mc/' mc_control.F90
/build/reproducible-path/cp2k-2024.2/src/motion/mc/mc_control.F:290:54:
290 | atom_symbols(iunit) = atom_names(iunit, 1)
| 1
Warning: CHARACTER expression will be truncated in assignment (5/80) at (1) [-Wcharacter-truncation]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'replica_types.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pint_types.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/pint_types.F pint_types.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'replica_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:34:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' replica_methods.F90
/build/reproducible-path/cp2k-2024.2/src/tmc/tmc_calculations.F:134:31:
134 | conf%potential = e_pot
@@ -63622,19 +63650,25 @@
note: 'e_pot' declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_calculations.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_moves.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_moves.F tmc_moves.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_file_io.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_file_io.F 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 May 3 07:34:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_moves.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:44 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_file_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_file_io.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'optimize_input.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_moves.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_moves.F tmc_moves.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'replica_types.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pint_types.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/pint_types.F pint_types.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'replica_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_file_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_moves.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_types.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:40 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' replica_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mc_control.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mc_ge_moves.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ge_moves.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ge_moves.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/mc/' mc_ge_moves.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pint_types.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pint_normalmode.o' due to: target does not exist
@@ -63643,17 +63677,24 @@
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/pint_staging.F pint_staging.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pint_public.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/pint_public.F pint_public.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pint_gle.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/pint_gle.F pint_gle.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pint_pile.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:34:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_normalmode.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_public.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_staging.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_pile.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:45 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_gle.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' pint_gle.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pint_gle.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/pint_gle.F pint_gle.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:45:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_public.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_normalmode.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_staging.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_pile.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_gle.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' pint_gle.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'optimize_input.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'optimize_basis.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_file_io.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_dot_tree.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_dot_tree.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_dot_tree.F90
/build/reproducible-path/cp2k-2024.2/src/motion/pint_public.F:77:3:
77 | PURE FUNCTION pint_cog_pos(pint_env) RESULT(cntrd_r)
@@ -63664,6 +63705,13 @@
110 | SUBROUTINE pint_free_part_bead_x(n, t, rng_gaussian, x, nout)
| ^
Warning: 'pint_free_part_bead_x' defined but not used [-Wunused-function]
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pint_public.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'helium_common.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/helium_common.F helium_common.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:41 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_common.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' helium_common.F90
/build/reproducible-path/cp2k-2024.2/src/replica_methods.F:252:42:
252 | rep_env%para_env => para_env_full
@@ -63674,34 +63722,27 @@
106 | TYPE(mp_para_env_type), POINTER :: para_env_f, para_env_full, &
| ^
note: 'para_env_full' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_file_io.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_dot_tree.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_dot_tree.F tmc_dot_tree.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pint_public.mod' due to: target does not exist
-true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:34:46 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_dot_tree.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_dot_tree.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'helium_common.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/helium_common.F helium_common.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:34:46 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_common.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' helium_common.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pint_gle.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pint_pile.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'replica_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mode_selective.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/mode_selective.F mode_selective.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pint_staging.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pint_normalmode.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:34:46 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mode_selective.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mode_selective.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pint_transformations.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:46 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_transformations.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' pint_transformations.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'replica_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mode_selective.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_transformations.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mode_selective.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/' mode_selective.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_dot_tree.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_cancelation.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_cancelation.F tmc_cancelation.F90
/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:42 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_cancelation.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_cancelation.F90
/build/reproducible-path/cp2k-2024.2/src/motion/helium_common.F:1454:3:
1454 | PURE FUNCTION helium_bead_rij(helium, ia, ib, ja, jb) RESULT(rij)
@@ -63752,11 +63793,6 @@
2446 | PURE FUNCTION helium_rperpendicular(helium, ia, ib) RESULT(rperp)
| ^
Warning: 'helium_rperpendicular' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_dot_tree.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_cancelation.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:34:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_cancelation.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_cancelation.F90
/build/reproducible-path/cp2k-2024.2/src/motion/helium_common.F:350:31:
350 | DEALLOCATE (used_indices)
@@ -63767,14 +63803,6 @@
314 | INTEGER, DIMENSION(:), POINTER :: cur_cycle, used_indices
| ^
note: 'used_indices' declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pint_transformations.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_restarts.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/input_cp2k_restarts.F input_cp2k_restarts.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pint_io.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_restarts.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:47 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' pint_io.F90
/build/reproducible-path/cp2k-2024.2/src/motion/mc/mc_ge_moves.F:546:65:
546 | moves(molecule_type, insert_box)%moves%swap%attempts + 1
@@ -63799,32 +63827,40 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_tree_references.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:48 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_references.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_tree_references.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pint_transformations.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'input_cp2k_restarts.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/input_cp2k_restarts.F input_cp2k_restarts.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pint_io.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_references.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_tree_references.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:45:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_restarts.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:43 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' pint_io.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_tree_references.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_tree_search.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_search.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_search.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_tree_search.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mc_ge_moves.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'helium_common.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'helium_interactions.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_interactions.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' helium_interactions.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pint_io.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pint_piglet.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/pint_piglet.F pint_piglet.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pint_qtb.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_piglet.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:49 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_qtb.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' pint_qtb.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_tree_search.mod' due to: target does not exist
true
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:45:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_interactions.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' helium_interactions.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_tree_build.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:50 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_build.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_build.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_tree_build.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pint_io.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pint_qtb.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/pint_qtb.F pint_qtb.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pint_piglet.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/pint_piglet.F pint_piglet.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:45:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_qtb.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:44 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_piglet.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' pint_piglet.F90
/build/reproducible-path/cp2k-2024.2/src/mode_selective.F:844:100:
844 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: approx_H, H_save, residuum, tmp_b, tmp_s
@@ -63862,42 +63898,32 @@
277 | REAL(KIND=dp) :: my_val, norm
| ^
note: 'my_val' 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 May 3 07:34:51 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' helium_io.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mode_selective.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a' due to: target does not exist
-echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a"
-Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a fist_intra_force.o qs_gcp_utils.o libint_2c_3c.o fist_neighbor_lists.o et_coupling_types.o hfx_energy_potential.o atom_xc.o qs_gapw_densities.o atom_admm_methods.o negf_green_cache.o pexsi_interface.o qs_cdft_methods.o qs_grid_atom.o replica_types.o qs_gspace_mixing.o qs_energy_types.o qmmmx_force.o minbas_wfn_analysis.o constraint_vsite.o qs_charges_types.o qmmm_tb_methods.o pme_tools.o mode_selective.o gw_large_cell_gamma.o qs_tddfpt2_restart.o atomic_charges.o pao_param_equi.o qs_dos.o mp2_direct_method.o pme.o qs_mfp.o input_cp2k_scf.o rpa_rse.o fist_energy_types.o atom_grb.o qs_tensors_types.o qs_scf_types.o semi_empirical_store_int_types.o qs_fb_hash_table_types.o mp2_eri_gpw.o semi_empirical_int3_utils.o negf_atom_map.o input_cp2k_exstate.o qs_scf_post_scf.o input_cp2k_thermostats.o atom_upf.o xas_tdp_utils.o qs_linres_epr_nablavks.o rt_propagation_forces.o mp2_ri_gpw.o fist_efield_types.o qmmm_elpot.o mao_basis.o shg_integrals_test.o qmmm_se_forces.o qs_fb_env_types.o qs_tddfpt2_lri_utils.o input_restart_force_eval.o qs_density_mixing_types.o distribution_2d_types.o semi_empirical_int_utils.o input_cp2k_global.o qs_active_space_methods.o atom_optimization.o nnp_acsf.o spme.o input_cp2k_xc.o metadynamics_utils.o force_fields_util.o gw_main.o tip_scan_types.o qs_charge_mixing.o optimize_embedding_potential.o ec_env_types.o input_restart_rng.o input_cp2k_eip.o qs_moments.o ewald_environment_types.o qs_local_rho_types.o qmmm_tb_coulomb.o qs_ks_atom.o qs_dftb_parameters.o qs_period_efield_types.o csvr_system_types.o xray_diffraction.o qs_core_hamiltonian.o qs_tddfpt2_eigensolver.o se_fock_matrix_integrals.o molecular_dipoles.o manybody_gal.o dm_ls_scf_qs.o qs_scf_output.o voronoi_interface.o pao_param_fock.o qmmm_init.o qs_environment_types.o post_scf_bandstructure_utils.o admm_dm_methods.o qs_dftb_utils.o pao_input.o rpa_gw_sigma_x.o cp_dbcsr_operations.o efield_utils.o sirius_interface.o qs_rho_methods.o ewald_pw_methods.o qs_kernel_types.o rpa_communication.o pw_poisson_read_input.o force_env_types.o manybody_deepmd.o dm_ls_scf_methods.o rpa_im_time_force_methods.o eip_environment.o topology_coordinate_util.o exstates_types.o spglib_f08.o localization_tb.o maxwell_solver_interface.o qs_dispersion_types.o optimize_basis.o qs_nonscf.o hfx_pw_methods.o negf_control_types.o semi_empirical_int_debug.o min_basis_set.o pair_potential_coulomb.o gw_small_cell_full_kp.o atom_operators.o force_fields_ext.o dgemm_counter_types.o qs_collocate_density.o qs_rho0_ggrid.o qs_kinetic.o qmmmx_create.o pao_main.o qs_tddfpt2_subgroups.o qs_dftb3_methods.o qs_force_types.o ct_methods.o qs_tddfpt2_types.o qs_linres_current_utils.o xtb_coulomb.o qs_core_energies.o fist_environment.o qs_tddfpt_types.o input_cp2k_resp.o dm_ls_scf_create.o mp2_gpw.o qs_linres_module.o kpoint_types.o molden_utils.o almo_scf_types.o mscfg_types.o f77_interface.o qs_mo_types.o hirshfeld_methods.o input_cp2k_poisson.o admm_dm_types.o input_cp2k_pwdft.o topology.o hfx_types.o block_p_types.o qmmm_per_elpot.o semi_empirical_expns3_methods.o qs_fxc.o qs_rho0_types.o embed_environment.o qmmm_gpw_energy.o hfx_ri.o qs_elf_methods.o kg_environment_types.o fist_nonbond_env_types.o topology_constraint_util.o dm_ls_chebyshev.o pao_methods.o input_cp2k_ls.o mixed_cdft_utils.o molecular_moments.o rpa_im_time_force_types.o farming_methods.o rt_propagation_velocity_gauge.o mp2.o xas_tdp_atom.o topology_amber.o atom_set_basis.o qs_dispersion_pairpot.o input_cp2k_kpoints.o input_cp2k_qs.o qs_fb_filter_matrix_methods.o qs_tddfpt2_soc_utils.o pexsi_types.o qs_dftb_types.o qs_kpp1_env_types.o qmmm_gaussian_init.o input_cp2k_xas.o qs_fb_buffer_types.o qs_dcdr.o input_cp2k_rsgrid.o mp2_ri_grad_util.o simpar_types.o qs_fb_matrix_data_types.o uff_vdw_radii_table.o qs_integral_utils.o qs_scf_wfn_mix.o ewald_methods_tb.o fist_nonbond_force.o qs_external_density.o eip_silicon.o qs_ks_qmmm_methods.o input_cp2k_nnp.o qs_scf_post_gpw.o et_coupling.o kpoint_methods.o qs_linres_epr_ownutils.o qs_tddfpt2_stda_types.o qs_dftb_matrices.o constraint_3x3.o qs_tddfpt2_densities.o free_energy_types.o input_cp2k_properties_dft.o se_core_matrix.o pao_io.o ewalds.o qs_tddfpt2_forces.o manybody_eam.o qs_tddfpt_eigensolver.o xtb_matrices.o qs_tddfpt2_operators.o almo_scf_diis_types.o pair_potential.o input_cp2k_neb.o ec_methods.o input_cp2k_external.o nnp_force.o qs_scf_methods.o rel_control_types.o admm_utils.o qs_wf_history_types.o hfx_helpers.o cp_control_types.o pao_linpot_rotinv.o topology_util.o colvar_utils.o ipi_environment.o input_cp2k_check.o qs_fb_atomic_halo_types.o embed_main.o input_cp2k_motion_print.o xc_adiabatic_utils.o molecular_states.o negf_integr_cc.o lri_integrals.o qs_active_space_utils.o topology_pdb.o qs_dcdr_ao.o cp_dbcsr_output.o qs_elec_field.o qs_wf_history_methods.o mao_types.o preconditioner.o dkh_main.o pao_ml_gaussprocess.o qs_neighbor_lists.o almo_scf.o mm_mapping_library.o qs_loc_main.o qs_loc_molecules.o al_system_types.o qs_band_structure.o mixed_cdft_types.o iterate_matrix.o qs_tddfpt2_soc.o mdctrl_types.o input_cp2k_restarts_util.o fp_methods.o qs_scf_post_se.o preconditioner_makes.o input_cp2k_constraints.o population_analyses.o mscfg_methods.o mp2_optimize_ri_basis.o kg_tnadd_mat.o qs_spin_orbit.o ipi_environment_types.o manybody_quip.o hfx_admm_utils.o topology_cif.o input_cp2k_subsys.o rpa_main.o qs_scf_initialization.o xas_tdp_methods.o pexsi_methods.o cp_ddapc_util.o qs_matrix_pools.o qs_basis_gradient.o kpoint_coulomb_2c.o gw_utils.o hfx_exx.o input_cp2k_voronoi.o qs_fermi_contact.o rpa_grad.o qs_tddfpt2_methods.o input_cp2k_free_energy.o ewalds_multipole.o optimize_basis_utils.o qs_linres_issc_utils.o qs_commutators.o atom_pseudo.o mp2_ri_grad.o input_cp2k_field.o hartree_local_types.o metadynamics.o qmmm_image_charge.o preconditioner_types.o cp_symmetry.o eip_environment_types.o transport_env_types.o manybody_nequip.o mixed_environment_utils.o qs_interactions.o libint_wrapper.o input_cp2k_qmmm.o mp2_gpw_method.o manybody_tersoff.o qs_ot.o qs_p_env_types.o xtb_ehess_force.o efield_tb_methods.o negf_integr_utils.o qs_density_matrices.o qs_kernel_methods.o metadynamics_types.o hfx_libint_interface.o kpoint_io.o input_cp2k_hfx.o mp2_setup.o qs_block_davidson_types.o dm_ls_scf.o surface_dipole.o qs_linres_nmr_epr_common_utils.o qs_rho_types.o dm_ls_scf_types.o pao_types.o pwdft_environment.o negf_alloc_types.o qs_neighbor_list_types.o qs_o3c_types.o qs_efield_local.o qs_ot_types.o cp_ddapc_types.o atom_output.o ri_environment_methods.o xas_tdp_kernel.o qs_ks_apply_restraints.o iao_types.o qs_cdft_opt_types.o qmmmx_util.o domain_submatrix_methods.o qs_kind_types.o post_scf_bandstructure_methods.o mp2_ri_libint.o ipi_server.o qmmmx_update.o wannier90.o input_cp2k_tb.o fist_neighbor_list_types.o xas_env_types.o ewald_pw_types.o qcschema.o bse_full_diag.o stm_images.o constraint_4x6.o 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/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_tree_build.mod' due to: target does not exist
true
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/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_tree_acceptance.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_tree_acceptance.F tmc_tree_acceptance.F90
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/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_messages.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_messages.F tmc_messages.F90
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true
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-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/rt_propagation.F rt_propagation.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a' due to: target does not exist
+echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a"
+Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a hfx_screening_methods.o qs_vcd.o min_basis_set.o eip_environment_types.o input_cp2k_mixed.o xtb_ehess_force.o input_cp2k_projection_rtp.o pao_ml_neuralnet.o qs_tddfpt_module.o semi_empirical_mpole_types.o atom_sgp.o lri_environment_methods.o input_cp2k_eip.o qs_epr_hyp.o qs_interactions.o molecular_moments.o atom_kind_orbitals.o qs_kernel_types.o ed_analysis.o input_restart_force_eval.o input_cp2k_se.o outer_scf_control_types.o input_cp2k_colvar.o minbas_methods.o qs_tddfpt2_eigensolver.o qs_p_env_methods.o qs_oce_types.o qs_grid_atom.o fist_efield_types.o qs_tddfpt2_lri_utils.o soc_pseudopotential_methods.o semi_empirical_int_utils.o pao_param_linpot.o qs_atomic_block.o input_cp2k_hfx.o particle_methods.o metadynamics_types.o qs_energy.o xc_write_output.o semi_empirical_expns3_methods.o qs_rho_types.o qs_mom_methods.o input_cp2k_ec.o fist_nonbond_force.o mp2_ri_libint.o ipi_driver.o constraint_vsite.o pair_potential_types.o qs_gcp_types.o rpa_exchange.o hfx_pw_methods.o qs_ot.o qs_subsys_methods.o xas_tdp_atom.o almo_scf_lbfgs_types.o qs_tddfpt2_fhxc_forces.o input_cp2k_read.o pme_tools.o topology_gromos.o mscfg_types.o qs_cdft_types.o rpa_gw_sigma_x.o qs_tddfpt2_stda_utils.o qs_kinetic.o force_fields_all.o qs_dftb_utils.o semi_empirical_utils.o gle_system_types.o qs_active_space_utils.o xtb_ehess.o s_square_methods.o input_restart_rng.o ipi_server.o almo_scf_env_methods.o qs_matrix_pools.o qmmm_gpw_forces.o qs_mfp.o qs_collocate_density.o semi_empirical_store_int_types.o negf_control_types.o domain_submatrix_methods.o shg_integrals_test.o header.o replica_methods.o qs_gamma2kp.o mixed_environment.o input_cp2k_rsgrid.o surface_dipole.o qmmm_tb_coulomb.o optimize_basis_utils.o group_dist_types.o pair_potential.o lri_integrals.o input_cp2k_negf.o et_coupling_proj.o qs_local_rho_types.o input_cp2k_field.o xas_methods.o debug_os_integrals.o input_cp2k_free_energy.o force_env_utils.o csvr_system_utils.o input_cp2k_global.o excited_states.o mode_selective.o pao_io.o manybody_potential.o dgemm_counter_types.o negf_vectors.o qs_tddfpt_types.o embed_main.o semi_empirical_int3_utils.o mp2_eri.o gw_main.o qs_fb_filter_matrix_methods.o hirshfeld_types.o hfx_ri_kp.o kpsym.o pw_env_methods.o topology_util.o kpoint_transitional.o input_cp2k_check.o gapw_1c_basis_set.o qs_block_davidson_types.o task_list_types.o semi_empirical_expns3_types.o atom_fit.o qs_ks_reference.o hfx_communication.o post_scf_bandstructure_utils.o submatrix_dissection.o semi_empirical_int_gks.o bse_full_diag.o qs_dispersion_pairpot.o qs_tensors.o molecular_dipoles.o topology_multiple_unit_cell.o fermi_utils.o pao_linpot_full.o optimize_embedding_potential.o negf_atom_map.o ct_types.o qs_dcdr_ao.o hfx_pair_list_methods.o topology_types.o rmsd.o qmmm_gaussian_init.o qs_density_mixing_types.o post_scf_bandstructure_methods.o hfx_libint_interface.o qs_kpp1_env_methods.o xas_tdp_utils.o qs_mom_types.o qs_scf_csr_write.o kpoint_methods.o input_cp2k_nnp.o se_fock_matrix_exchange.o atom_utils.o qs_diis.o mp2_types.o rpa_im_time.o cp2k_debug.o qs_mixing_utils.o qs_efield_local.o bse_main.o lri_environment_init.o qs_active_space_types.o qs_fb_env_types.o pao_param_fock.o cp_subsys_methods.o mixed_cdft_utils.o qs_linres_kernel.o beta_gamma_psi.o external_potential_methods.o hfx_energy_potential.o pao_optimizer.o atom_energy.o mp2_gpw_method.o input_cp2k_ls.o lri_optimize_ri_basis_types.o input_cp2k_atprop.o cp_ddapc_types.o input_cp2k_force_eval.o qs_initial_guess.o qs_linres_module.o qs_linres_current_utils.o rpa_main.o qs_dftb_matrices.o pexsi_interface.o qs_force_types.o input_cp2k_almo.o qs_neighbor_list_types.o dm_ls_chebyshev.o response_solver.o pao_param_methods.o atom.o qmmm_image_charge.o environment.o qs_gcp_method.o mp2_grids.o qs_mo_types.o extended_system_types.o qs_p_env_types.o qs_efield_berry.o qs_nonscf.o qmmm_util.o qs_wannier90.o cp_eri_mme_interface.o qs_tddfpt2_methods.o ec_orth_solver.o qs_loc_main.o xray_diffraction.o qmmm_pw_grid.o deepmd_wrapper.o pexsi_methods.o gw_kp_to_real_space_and_back.o xas_restart.o qs_scf_post_tb.o sirius_interface.o xas_tdp_kernel.o qmmm_gpw_energy.o qs_loc_methods.o input_constants.o minbas_wfn_analysis.o pao_main.o qs_pdos.o rpa_gw_im_time_util.o qs_diis_types.o fist_force.o cp_symmetry.o cp2k_info.o qs_charge_mixing.o fp_methods.o kg_environment_types.o qs_linres_op.o ec_env_types.o mao_wfn_analysis.o qs_overlap.o qs_fb_env_methods.o qs_tddfpt2_forces.o qs_energy_window.o qs_core_energies.o pao_param_gth.o input_cp2k_dft.o cp_ddapc_methods.o pao_linpot_rotinv.o qs_rho_atom_methods.o cp_control_types.o qs_vxc_atom.o ec_methods.o qs_vcd_utils.o qmmm_create.o atom_set_basis.o input_cp2k_neb.o atom_electronic_structure.o gw_communication.o mp2_cphf.o splines_types.o qs_fb_com_tasks_types.o qs_dos.o se_core_matrix.o qs_energy_init.o gw_large_cell_gamma.o qs_density_matrices.o qs_force.o mp2_eri_gpw.o domain_submatrix_types.o qs_chargemol.o almo_scf.o atom_grb.o nnp_environment.o input_cp2k_external.o preconditioner_solvers.o mp2_optimize_ri_basis.o qs_tddfpt2_operators.o ewald_spline_util.o qs_mo_methods.o cp_ddapc_util.o qs_period_efield_types.o qs_basis_gradient.o qmmm_tb_methods.o qs_fb_input.o negf_integr_simpson.o qs_localization_methods.o qs_linres_atom_current.o qs_fb_hash_table_types.o pao_types.o cp_dbcsr_cholesky.o qmmm_types_low.o qs_loc_molecules.o nnp_acsf.o core_ppnl.o stm_images.o semi_empirical_int_arrays.o qs_fermi_contact.o topology_coordinate_util.o qmmm_se_forces.o input_cp2k_pwdft.o manybody_allegro.o statistical_methods.o cryssym.o qs_dftb_coulomb.o manybody_quip.o dm_ls_scf.o qs_resp.o hfx_compression_methods.o generic_os_integrals.o linesearch.o qs_rho0_types.o manybody_nequip.o qs_gapw_densities.o global_types.o qs_dispersion_types.o qs_linres_epr_utils.o qs_tddfpt2_assign.o sockets_interface.o input_cp2k_qs.o rpa_im_time_force_types.o graphcon.o qs_gcp_utils.o qs_moments.o almo_scf_types.o input_cp2k_as.o fist_environment.o qs_scf_block_davidson.o transport.o dm_ls_scf_methods.o splines_methods.o mixed_environment_types.o scine_utils.o cp_dbcsr_output.o almo_scf_diis_types.o ex_property_calculation.o uff_vdw_radii_table.o fist_pol_scf.o qs_tddfpt2_types.o qmmm_types.o ec_environment.o kg_tnadd_mat.o qs_update_s_mstruct.o xc_adiabatic_methods.o grrm_utils.o rpa_im_time_force_methods.o embed_types.o post_scf_bandstructure_types.o qs_ks_types.o input_cp2k_tb.o libint_2c_3c.o task_list_methods.o qmmm_gaussian_input.o topology.o force_env_methods.o qs_tddfpt2_restart.o core_ae.o qmmmx_types.o qs_scf_post_scf.o input_cp2k_properties_dft.o atom_output.o lri_environment_types.o qs_o3c_types.o qs_basis_rotation_methods.o gw_utils.o sap_kind_types.o force_fields_util.o negf_integr_cc.o cp_control_utils.o qs_cdft_opt_types.o gw_small_cell_full_kp.o atomic_charges.o qs_elec_field.o qs_linres_methods.o mp2_gpw.o admm_types.o taper_types.o constraint.o input_cp2k_binary_restarts.o mixed_main.o semi_empirical_types.o qs_local_properties.o cp_realspace_grid_init.o qmmm_se_energy.o qs_harmonics_atom.o qs_loc_dipole.o csvr_system_types.o dft_plus_u.o xtb_coulomb.o qs_kind_types.o topology_cp2k.o qmmm_ff_fist.o pao_param_exp.o xtb_types.o negf_subgroup_types.o cp_dbcsr_operations.o atom_xc.o qs_scf_diagonalization.o qmmm_elpot.o input_cp2k_mm.o pao_param.o mp2_laplace.o torch_api.o mp2_setup.o qs_fb_distribution_methods.o qs_energy_types.o qs_dftb_parameters.o topology_connectivity_util.o xas_env_types.o cp_ddapc_forces.o qs_kernel_methods.o atom_pseudo.o atoms_input.o scf_control_types.o libgrpp_integrals.o topology_xyz.o constraint_4x6.o qs_environment.o iao_types.o qs_energy_utils.o metadynamics_utils.o input_cp2k_exstate.o dkh_main.o semi_empirical_int_ana.o efield_tb_methods.o qs_mo_occupation.o mixed_environment_utils.o et_coupling.o qs_tensors_types.o qs_loc_utils.o mp2_direct_method.o voronoi_interface.o wannier_states.o hfx_types.o hartree_local_types.o input_cp2k_loc.o qs_spin_orbit.o qs_ot_eigensolver.o dm_ls_scf_qs.o input_optimize_input.o qs_linres_epr_ownutils.o optimize_dmfet_potential.o pao_input.o hfx_derivatives.o qs_tddfpt2_properties.o optbas_fenv_manipulation.o input_optimize_basis.o topology_psf.o qs_matrix_w.o localization_tb.o qs_scf.o pao_param_equi.o pao_potentials.o negf_env_types.o preconditioner.o constraint_fxd.o input_cp2k_subsys.o admm_utils.o fist_nonbond_env_types.o qs_tddfpt2_utils.o input_cp2k_resp.o rpa_communication.o qs_wf_history_types.o rel_control_types.o xtb_parameters.o semi_empirical_integrals.o lri_forces.o manybody_siepmann.o topology_amber.o atom_upf.o input_cp2k_xas.o mm_mapping_library.o topology_generate_util.o qs_ks_methods.o qs_vxc.o qs_energy_matrix_w.o eip_environment.o xtb_matrices.o qs_loc_states.o fist_neighbor_list_control.o pao_ml.o negf_methods.o rpa_grad.o qs_tddfpt2_subgroups.o force_fields_ext.o iao_analysis.o qs_tddfpt2_densities.o nnp_model.o ewald_environment_types.o atom_types.o qs_kpp1_env_types.o qmmmx_force.o tip_scan_methods.o dm_ls_scf_create.o qs_tddfpt2_soc_types.o se_fock_matrix_integrals.o qs_fb_buffer_types.o fist_energy_types.o qs_outer_scf.o hfx_helpers.o qs_ks_utils.o mao_basis.o qs_loc_types.o qs_environment_methods.o rpa_gw_ic.o moments_utils.o virial_methods.o pao_ml_descriptor.o force_fields_input.o qs_scf_output.o mixed_energy_types.o commutator_rpnl.o wannier_states_types.o ipi_environment.o qs_electric_field_gradient.o qmmm_topology_util.o input_cp2k_atom.o fist_main.o atom_admm_methods.o se_fock_matrix_dbg.o qs_linres_polar_utils.o topology_pdb.o se_fock_matrix.o xc_pot_saop.o topology_constraint_util.o topology_cif.o constraint_clv.o qs_integrate_potential.o hfx_ri.o semi_empirical_parameters.o qs_commutators.o mp2.o cell_methods.o qs_ot_types.o preconditioner_types.o optbas_opt_utils.o qs_integrate_potential_single.o hirshfeld_methods.o spglib_f08.o constraint_3x3.o ewalds_multipole.o qs_sccs.o qs_scf_wfn_mix.o input_cp2k_kpoints.o qs_fb_trial_fns_types.o replica_types.o manybody_eam.o qs_tddfpt2_soc.o qs_scf_methods.o atom_basis.o qs_linres_nmr_utils.o manybody_gal.o ct_methods.o rpa_util.o qs_subsys_types.o almo_scf_optimizer.o paw_proj_set_types.o negf_integr_utils.o qs_fb_matrix_data_types.o qmmmx_util.o qs_ot_scf.o gw_integrals.o topology_xtl.o lri_optimize_ri_basis.o optimize_basis.o qs_tddfpt2_fhxc.o kpoint_types.o et_coupling_types.o pwdft_environment_types.o qs_dispersion_nonloc.o qs_rho_atom_types.o qs_hash_table_functions.o negf_green_methods.o admm_methods.o bse_iterative.o ri_environment_methods.o hfx_load_balance_methods.o qs_rho_methods.o pair_potential_util.o topology_input.o fist_neighbor_list_types.o mscfg_methods.o cp_dbcsr_cp2k_link.o ewald_pw_types.o hfx_admm_utils.o kg_vertex_coloring_methods.o lri_ks_methods.o input_cp2k_print_dft.o embed_environment.o negf_alloc_types.o qs_dftb_types.o pao_methods.o qs_elf_methods.o preconditioner_apply.o qs_integrate_potential_product.o qs_tddfpt_utils.o efield_utils.o input_cp2k_transport.o xas_tdp_methods.o qmmm_init.o atom_optimization.o maxwell_solver_interface.o qs_environment_types.o xas_control.o eip_silicon.o qs_ks_qmmm_methods.o cp_dbcsr_diag.o qs_tddfpt_eigensolver.o qs_linres_nmr_epr_common_utils.o mp2_ri_grad_util.o qmmm_gaussian_types.o cp_external_control.o qs_linres_current.o qs_nl_hash_table_types.o soc_pseudopotential_utils.o wannier90.o input_cp2k_poisson.o mdctrl_types.o ls_matrix_exp.o mixed_cdft_types.o qs_vcd_ao.o rt_propagation_velocity_gauge.o qs_scf_initialization.o pilaenv_hack.o qs_linres_types.o mao_types.o force_field_types.o manybody_gal21.o qs_rho0_methods.o tip_scan_types.o qs_condnum.o xas_tdp_integrals.o rpa_gw.o lri_compression.o qs_ks_atom.o almo_scf_qs.o mol_force.o fist_neighbor_lists.o qs_scf_types.o ewald_pw_methods.o free_energy_types.o fp_types.o almo_scf_methods.o iterate_matrix.o ewalds.o nnp_environment_types.o ipi_environment_types.o qs_band_structure.o qs_ot_minimizer.o exstates_types.o mixed_cdft_methods.o qs_fxc.o qs_scf_post_gpw.o atom_operators.o simpar_types.o mp2_ri_2c.o kpoint_coulomb_2c.o pair_potential_coulomb.o optimize_input.o semi_empirical_int_num.o force_env_types.o rt_propagation_forces.o qs_ks_qmmm_types.o xc_adiabatic_utils.o constraint_util.o se_fock_matrix_coulomb.o qs_mo_io.o input_cp2k_mp2.o metadynamics.o qs_tddfpt2_stda_types.o basis_set_output.o f77_interface.o pexsi_types.o se_core_core.o mp2_integrals.o qs_tddfpt2_fprint.o submatrix_types.o qs_wf_history_methods.o dm_ls_scf_types.o restraint.o input_cp2k_voronoi.o commutator_rkinetic.o qs_rho0_ggrid.o semi_empirical_par_utils.o pao_ml_gaussprocess.o xas_tdp_types.o distribution_2d_types.o hartree_local_methods.o qmmm_force.o qs_cdft_utils.o cp_ddapc.o fist_environment_types.o input_cp2k_opt.o qs_cdft_methods.o qs_active_space_methods.o input_cp2k_scf.o input_cp2k_thermostats.o rpa_rse.o dm_ls_scf_curvy.o hdf5_wrapper.o mp2_ri_gpw.o optimize_basis_types.o qs_scf_lanczos.o matrix_exp.o subcell_types.o qmmm_per_elpot.o molecular_states.o admm_dm_types.o mp2_ri_grad.o ewald_methods_tb.o qs_external_potential.o kg_correction.o xas_tp_scf.o negf_matrix_utils.o rpa_gw_kpoints_util.o pme.o input_cp2k_restarts_util.o qmmmx_create.o mulliken.o xas_tdp_correction.o fist_intra_force.o mao_optimizer.o qs_dcdr.o admm_dm_methods.o bsse.o qs_neighbor_lists.o qs_scf_post_se.o qs_fb_atomic_halo_types.o cp_realspace_grid_cube.o auto_basis.o bse_util.o qs_external_density.o mm_collocate_potential.o pw_poisson_read_input.o exclusion_types.o qs_dispersion_d4.o qs_tddfpt2_soc_utils.o molden_utils.o semi_empirical_mpole_methods.o semi_empirical_int_debug.o preconditioner_makes.o qs_dispersion_utils.o hfx_exx.o al_system_types.o fist_efield_methods.o qs_dcdr_utils.o population_analyses.o qs_scf_loop_utils.o energy_corrections.o qs_linres_epr_nablavks.o qs_ks_apply_restraints.o pwdft_environment.o input_cp2k_qmmm.o colvar_methods.o manybody_tersoff.o manybody_deepmd.o qs_charges_types.o qs_linres_issc_utils.o kpoint_io.o qcschema.o molsym.o input_cp2k_embed.o library_tests.o input_cp2k_constraints.o colvar_utils.o nnp_force.o input_cp2k_xc.o qs_core_hamiltonian.o negf_green_cache.o local_gemm_api.o qs_2nd_kernel_ao.o distribution_methods.o qs_dftb3_methods.o qs_fb_atomic_matrix_methods.o input_cp2k_distribution.o ec_efield_local.o integration_grid_types.o qmmmx_update.o qs_linres_nmr_shift.o qs_integral_utils.o transport_env_types.o qs_cdft_scf_utils.o input_cp2k_motion_print.o parallel_gemm_api.o spme.o qs_o3c_methods.o block_p_types.o farming_types.o qs_operators_ao.o kg_environment.o motion_utils.o core_ppl.o qs_oce_methods.o qs_gspace_mixing.o qmmm_links_methods.o rtp_admm_methods.o rt_propagation_types.o libint_wrapper.o mao_methods.o force_fields.o farming_methods.o qmmm_gaussian_data.o qs_dftb_dispersion.o sockets.o torch_c_api.o
+ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'vibrational_analysis.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/vibrational_analysis.F vibrational_analysis.F90
+/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:47 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/vibrational_analysis.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' vibrational_analysis.F90
/build/reproducible-path/cp2k-2024.2/src/tmc/tmc_tree_acceptance.F:396:10:
396 | IF (parent_ready) THEN
@@ -63908,10 +63934,6 @@
362 | LOGICAL :: parent_ready
| ^
note: 'parent_ready' 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 May 3 07:34:53 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' neb_io.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:34:53 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:53 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:53 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/rt_propagation.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' rt_propagation.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_tree_acceptance.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/tmc/tmc_analysis.F:1131:89:
@@ -63919,32 +63941,42 @@
1131 | REAL(KIND=dp) :: aver_box_scale(3), vol, voldr
| ^
Warning: 'voldr' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:174: update target '/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:54 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'md_util.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'input_cp2k_restarts.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/src/motion/neb_io.F:435:55:
-
- 435 | logger%iter_info%project_name = replica_proj_name
- | 1
-Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'helium_io.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'neb_io.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/neb_io.F neb_io.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gopt_f_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/gopt_f_methods.F gopt_f_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'rt_propagation.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/rt_propagation.F rt_propagation.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'md_util.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_io.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' neb_io.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:45:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/rt_propagation.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:48 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_util.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' md_util.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_messages.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'helium_worm.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:34:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_worm.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' helium_worm.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_master.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_master.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_master.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_analysis.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_messages.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_worker.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_worker.F tmc_worker.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_master.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/tmc/tmc_master.F tmc_master.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'neb_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="\"Tue Apr 1 03:45:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_worker.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_worker.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'helium_io.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'helium_worm.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:49 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_worm.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' helium_worm.F90
+/build/reproducible-path/cp2k-2024.2/src/motion/neb_io.F:435:55:
+
+ 435 | logger%iter_info%project_name = replica_proj_name
+ | 1
+Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation]
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'md_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 May 3 07:34:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_worker.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' 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="\"Sun May 3 07:34:55 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_master.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_master.F90
/build/reproducible-path/cp2k-2024.2/src/motion/vibrational_analysis.F:128:80:
128 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: polar_deriv, tmp_dip
@@ -63981,6 +64013,10 @@
128 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: polar_deriv, tmp_dip
| ^
Warning: 'polar_deriv.data' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'neb_io.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_master.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/motion/gopt_f_methods.F:1034:14:
1034 | CPASSERT((SIZE(x) == idg + 6))
@@ -63993,26 +64029,24 @@
note: 'idg' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'gopt_f_methods.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'bfgs_optimizer.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/bfgs_optimizer.F bfgs_optimizer.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cg_optimizer.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/cg_optimizer.F cg_optimizer.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_lbfgs_optimizer_gopt.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_optimizer.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:34:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/bfgs_optimizer.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:56 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_optimizer_gopt.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' cp_lbfgs_optimizer_gopt.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_propagation.mod' due to: target does not exist
-true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cg_optimizer.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/cg_optimizer.F cg_optimizer.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'bfgs_optimizer.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/bfgs_optimizer.F bfgs_optimizer.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_worker.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'vibrational_analysis.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_master.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tmc_setup.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:34:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_setup.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_setup.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:45:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_optimizer_gopt.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_optimizer.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/bfgs_optimizer.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:51 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_setup.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/tmc/' tmc_setup.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'rt_propagation.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'vibrational_analysis.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/src/motion/cp_lbfgs_optimizer_gopt.F:341:29:
341 | SUBROUTINE cp_opt_gopt_get(optimizer, para_env, &
@@ -64022,52 +64056,42 @@
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'shell_opt.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:34:58 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/shell_opt.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' shell_opt.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'bfgs_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="\"Tue Apr 1 03:45:53 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/shell_opt.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' shell_opt.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tmc_setup.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a"
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a tmc_messages.o tmc_tree_search.o tmc_worker.o tmc_setup.o tmc_tree_acceptance.o tmc_stati.o tmc_tree_types.o tmc_moves.o tmc_tree_build.o tmc_move_handle.o tmc_file_io.o tmc_types.o tmc_master.o tmc_analysis_types.o tmc_calculations.o tmc_cancelation.o tmc_move_types.o tmc_dot_tree.o tmc_analysis.o tmc_tree_references.o input_cp2k_tmc.o tmc_utils.o
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a tmc_utils.o tmc_master.o tmc_tree_types.o tmc_moves.o tmc_move_types.o tmc_analysis_types.o tmc_stati.o tmc_cancelation.o tmc_move_handle.o tmc_file_io.o tmc_analysis.o tmc_tree_build.o tmc_messages.o tmc_dot_tree.o tmc_tree_acceptance.o tmc_types.o tmc_tree_search.o tmc_tree_references.o tmc_setup.o input_cp2k_tmc.o tmc_calculations.o tmc_worker.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'bfgs_optimizer.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'shell_opt.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'md_vel_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/md_vel_utils.F md_vel_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'integrator.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/integrator.F integrator.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:35:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_vel_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:35:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' integrator.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'helium_worm.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'helium_sampling.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:35:00 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_sampling.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' 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="\"Tue Apr 1 03:45:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_vel_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' integrator.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_lbfgs_optimizer_gopt.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp_lbfgs_geo.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/cp_lbfgs_geo.F cp_lbfgs_geo.F90
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:35:01 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_geo.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:54 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_geo.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' cp_lbfgs_geo.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'helium_worm.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'helium_sampling.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:55 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_sampling.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' helium_sampling.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp_lbfgs_geo.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'geo_opt.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/geo_opt.F geo_opt.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cell_opt.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:35:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/geo_opt.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:35:02 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' cell_opt.F90
-/build/reproducible-path/cp2k-2024.2/src/motion/md_vel_utils.F:821:33:
-
- 821 | IF (simpar%nfree /= 0 .AND. (force_rescaling .OR. rescale_regions)) THEN
- | ^
-Warning: 'rescale_regions' may be used uninitialized [-Wmaybe-uninitialized]
-/build/reproducible-path/cp2k-2024.2/src/motion/md_vel_utils.F:706:24:
-
- 706 | rescale_regions, shellvel_explicit, shellvel_read
- | ^
-note: 'rescale_regions' 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="\"Tue Apr 1 03:45:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/geo_opt.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:56 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' cell_opt.F90
/build/reproducible-path/cp2k-2024.2/src/motion/integrator.F:1584:61:
1584 | element_kind_ref0 = particle_set(i)%atomic_kind%name
@@ -64078,18 +64102,23 @@
1606 | element_kind_ref0 = particle_set(i)%atomic_kind%name
| 1
Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation]
+/build/reproducible-path/cp2k-2024.2/src/motion/md_vel_utils.F:821:33:
+
+ 821 | IF (simpar%nfree /= 0 .AND. (force_rescaling .OR. rescale_regions)) THEN
+ | ^
+Warning: 'rescale_regions' may be used uninitialized [-Wmaybe-uninitialized]
+/build/reproducible-path/cp2k-2024.2/src/motion/md_vel_utils.F:706:24:
+
+ 706 | rescale_regions, shellvel_explicit, shellvel_read
+ | ^
+note: 'rescale_regions' was declared here
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'geo_opt.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'dimer_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:57 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' dimer_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cell_opt.mod' due to: target does not exist
true
-mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun May 3 07:35:03 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' dimer_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'helium_sampling.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'helium_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:35:04 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' helium_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'md_vel_utils.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/src/motion/integrator.F:529:27:
@@ -64102,18 +64131,42 @@
402 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: v_old
| ^
note: 'v_old.dim[1].ubound' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dimer_methods.mod' due to: target does not exist
-true
+/build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:158: update target '/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'integrator.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'velocity_verlet_control.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:35:05 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/velocity_verlet_control.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/velocity_verlet_control.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' velocity_verlet_control.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'dimer_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'helium_sampling.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'helium_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:45:59 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' helium_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'velocity_verlet_control.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'md_run.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:35:07 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_run.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:46:00 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_run.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' md_run.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'md_run.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'neb_utils.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/neb_utils.F neb_utils.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gopt_f77_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/gopt_f77_methods.F gopt_f77_methods.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tamc_run.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/mc/tamc_run.F tamc_run.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mc_moves.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/mc/mc_moves.F mc_moves.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'glbopt_worker.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/swarm/glbopt_worker.F 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="\"Tue Apr 1 03:46:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:46:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f77_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:46:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/tamc_run.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:46:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_moves.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:46:03 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_worker.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' glbopt_worker.F90
/build/reproducible-path/cp2k-2024.2/src/motion/helium_methods.F:439:16:
439 | IF (expl_pot) THEN
@@ -64124,38 +64177,21 @@
125 | expl_pot, explicit, ltmp
| ^
note: 'expl_pot' was declared here
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'helium_methods.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pint_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:35:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' pint_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'md_run.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'gopt_f77_methods.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/gopt_f77_methods.F gopt_f77_methods.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'neb_utils.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/neb_utils.F neb_utils.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'tamc_run.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/motion/mc/tamc_run.F tamc_run.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'glbopt_worker.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/swarm/glbopt_worker.F glbopt_worker.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mc_moves.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:35:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:35:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f77_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:35:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/tamc_run.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:35:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_worker.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:35:10 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_moves.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/mc/' mc_moves.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'glbopt_worker.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'swarm_worker.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:35:12 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_worker.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:46:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_worker.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' swarm_worker.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'helium_methods.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'pint_methods.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:46:04 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' pint_methods.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'swarm_worker.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'swarm.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:35:13 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:46:05 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/swarm/' swarm.F90
/build/reproducible-path/cp2k-2024.2/src/motion/neb_utils.F:482:46:
482 | forces%wrk(:, 1) = tmp_a ! Image A
@@ -64166,52 +64202,52 @@
380 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: tangent, tmp_a, tmp_b
| ^
note: 'tmp_a.dim[0].ubound' was declared here
-/build/reproducible-path/cp2k-2024.2/src/motion/pint_methods.F:793:23:
-
- 793 | SUBROUTINE pint_test(para_env, input, input_declaration)
- | ^
-Warning: 'pint_test' defined but not used [-Wunused-function]
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mc_moves.mod' due to: target does not exist
-true
-/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mc_ensembles.o' due to: target does not exist
-/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:35:14 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ensembles.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/mc/' mc_ensembles.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'neb_utils.mod' due to: target does not exist
-true
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'swarm.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a"
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a glbopt_input.o swarm_mpi.o swarm_worker.o glbopt_master.o swarm_master.o swarm_message.o glbopt_mincrawl.o swarm_input.o swarm.o glbopt_worker.o glbopt_history.o glbopt_minhop.o
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a glbopt_mincrawl.o swarm_mpi.o swarm_master.o swarm_message.o swarm_input.o swarm.o glbopt_input.o glbopt_master.o glbopt_history.o swarm_worker.o glbopt_minhop.o glbopt_worker.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'mc_moves.mod' due to: target does not exist
+true
+/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mc_ensembles.o' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:46:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ensembles.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/mc/' mc_ensembles.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'neb_utils.mod' due to: target does not exist
+true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'neb_opt_utils.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:35:15 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:46:06 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' neb_opt_utils.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'tamc_run.mod' due to: target does not exist
true
-/build/reproducible-path/cp2k-2024.2/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-2024.2/src/motion/pint_methods.F:1932:98:
+/build/reproducible-path/cp2k-2024.2/src/motion/pint_methods.F:793:23:
- 1932 | REAL(kind=dp) :: dt_temp, dti, dti2, dti22, e_h, factor, &
- | ^
-Warning: 'factor' may be used uninitialized [-Wmaybe-uninitialized]
+ 793 | SUBROUTINE pint_test(para_env, input, input_declaration)
+ | ^
+Warning: 'pint_test' defined but not used [-Wunused-function]
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'neb_opt_utils.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'neb_methods.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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 May 3 07:35:17 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' neb_methods.F90
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:46:08 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_methods.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/' neb_methods.F90
+/build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'mc_ensembles.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'mc_run.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:35:18 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_run.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/mc/' mc_run.F90
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pint_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="\"Tue Apr 1 03:46:10 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_run.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/motion/mc/' mc_run.F90
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'neb_methods.mod' due to: target does not exist
true
+/build/reproducible-path/cp2k-2024.2/src/motion/pint_methods.F:1932:98:
+
+ 1932 | REAL(kind=dp) :: dt_temp, dti, dti2, dti22, e_h, factor, &
+ | ^
+Warning: 'factor' may be used uninitialized [-Wmaybe-uninitialized]
/build/reproducible-path/cp2k-2024.2/src/motion/mc/mc_run.F:171:36:
171 | ALLOCATE (force_env(1:nboxes))
@@ -64227,44 +64263,44 @@
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a"
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a mc_run.o mc_moves.o mc_control.o mc_environment_types.o mc_ge_moves.o mc_types.o mc_move_control.o tamc_run.o mc_ensembles.o mc_misc.o mc_coordinates.o
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a mc_types.o tamc_run.o mc_environment_types.o mc_coordinates.o mc_ensembles.o mc_run.o mc_move_control.o mc_ge_moves.o mc_misc.o mc_control.o mc_moves.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a"
-/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'neb_methods.mod' due to: target does not exist
+/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'pint_methods.mod' due to: target does not exist
true
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a gopt_f_types.o neb_io.o bfgs_optimizer.o helium_nnp.o integrator_utils.o wiener_process.o glbopt_callback.o gopt_f_methods.o gopt_f77_methods.o thermal_region_utils.o md_util.o md_energies.o vibrational_analysis.o reftraj_types.o input_cp2k_vib.o neb_types.o helium_worm.o averages_types.o md_environment_types.o dimer_types.o input_cp2k_md.o reftraj_util.o neb_md_utils.o pint_gle.o geo_opt.o shell_opt.o velocity_verlet_control.o cell_opt_types.o md_conserved_quantities.o cp_lbfgs_geo.o md_run.o neb_methods.o space_groups_types.o md_vel_utils.o space_groups.o cell_opt_utils.o helium_methods.o cp_lbfgs_optimizer_gopt.o thermal_region_types.o pint_normalmode.o helium_types.o cg_optimizer.o pint_piglet.o pint_staging.o pint_pile.o cp_lbfgs.o simpar_methods.o pint_io.o helium_common.o pint_methods.o md_ener_types.o mdctrl_methods.o pint_public.o rt_propagation.o cell_opt.o helium_interactions.o helium_io.o gopt_param_types.o pint_qtb.o dimer_methods.o dimer_utils.o integrator.o neb_utils.o neb_opt_utils.o pint_transformations.o pint_types.o input_cp2k_restarts.o helium_sampling.o cg_utils.o free_energy_methods.o
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a space_groups_types.o neb_io.o neb_methods.o bfgs_optimizer.o helium_worm.o pint_transformations.o md_util.o pint_pile.o cp_lbfgs.o wiener_process.o md_energies.o glbopt_callback.o reftraj_types.o input_cp2k_md.o gopt_f_types.o thermal_region_utils.o neb_types.o helium_sampling.o gopt_param_types.o averages_types.o neb_opt_utils.o md_run.o integrator.o pint_methods.o cell_opt_types.o thermal_region_types.o md_conserved_quantities.o free_energy_methods.o dimer_methods.o md_environment_types.o mdctrl_methods.o cg_optimizer.o input_cp2k_restarts.o dimer_types.o shell_opt.o helium_io.o md_vel_utils.o pint_normalmode.o helium_methods.o reftraj_util.o pint_io.o geo_opt.o vibrational_analysis.o helium_nnp.o rt_propagation.o pint_types.o cell_opt.o pint_staging.o pint_qtb.o cp_lbfgs_geo.o input_cp2k_vib.o helium_common.o pint_piglet.o neb_md_utils.o velocity_verlet_control.o cg_utils.o helium_interactions.o gopt_f77_methods.o simpar_methods.o dimer_utils.o cp_lbfgs_optimizer_gopt.o neb_utils.o helium_types.o space_groups.o integrator_utils.o pint_gle.o cell_opt_utils.o pint_public.o gopt_f_methods.o md_ener_types.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp2k_runs.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:35:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_runs.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/start/' cp2k_runs.F90
-/build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:146: update target '/build/reproducible-path/cp2k-2024.2/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 May 3 07:35:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:150: update target '/build/reproducible-path/cp2k-2024.2/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 May 3 07:35:20 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/exe/Linux-x86_64-gfortran/xyz2dcd.psmp xyz2dcd.o -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kgrid -lcp2kgriddgemm -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kdbx -lcp2kdbm -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa
+mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Tue Apr 1 03:46:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_runs.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/start/' cp2k_runs.F90
+/build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:174: update target '/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:46:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:178: update target '/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:46:13 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:560: update target 'cp2k_runs.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp2k_shell.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/src/start/cp2k_shell.F cp2k_shell.F90
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'libcp2k.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:35:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_shell.F\"" -I'/build/reproducible-path/cp2k-2024.2/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 May 3 07:35:25 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/libcp2k.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:46:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_shell.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:46:18 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/libcp2k.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/start/' libcp2k.F90
/build/reproducible-path/cp2k-2024.2/Makefile:560: update target 'cp2k_shell.mod' due to: target does not exist
true
/build/reproducible-path/cp2k-2024.2/Makefile:513: update target 'cp2k.o' due to: target does not exist
/build/reproducible-path/cp2k-2024.2/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2024.2/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="\"Sun May 3 07:35:27 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k.F\"" -I'/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:46:19 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k.F\"" -I'/build/reproducible-path/cp2k-2024.2/src/start/' cp2k.F90
/build/reproducible-path/cp2k-2024.2/Makefile:542: update target '/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a' due to: target does not exist
echo "Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a"
Updating archive /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a
-ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a input_cp2k.o libcp2k.o input_cp2k_motion.o cp2k_shell.o cp2k_runs.o
+ar -r /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a cp2k_shell.o input_cp2k.o input_cp2k_motion.o libcp2k.o cp2k_runs.o
ar: creating /build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a
-/build/reproducible-path/cp2k-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:178: update target '/build/reproducible-path/cp2k-2024.2/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 May 3 07:35:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:162: update target '/build/reproducible-path/cp2k-2024.2/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="\"Tue Apr 1 03:46:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/obj/Linux-x86_64-gfortran/psmp/all.dep:194: update target '/build/reproducible-path/cp2k-2024.2/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 May 3 07:35:28 -12 2026\"" -D__COMPILE_HOST="\"infom02-amd64\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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
+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="\"Tue Apr 1 03:46:20 +14 2025\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:615b0eb\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2024.2/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2024.2/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-2024.2/Makefile:252: update target '/build/reproducible-path/cp2k-2024.2/exe/Linux-x86_64-gfortran/cp2k_shell.psmp' due to: target does not exist
cd /build/reproducible-path/cp2k-2024.2/exe/Linux-x86_64-gfortran; ln -sf cp2k.psmp cp2k_shell.psmp
/build/reproducible-path/cp2k-2024.2/Makefile:249: update target '/build/reproducible-path/cp2k-2024.2/exe/Linux-x86_64-gfortran/cp2k.popt' due to: target does not exist
@@ -66899,7 +66935,7 @@
sphinx-build -M html "." "_build" -W -n --keep-going --jobs 16
Running Sphinx v8.1.3
loading translations [en]... done
-myst v4.0.1: MdParserConfig(commonmark_only=False, gfm_only=False, enable_extensions={'strikethrough', 'dollarmath', 'smartquotes', 'attrs_inline'}, disable_syntax=[], all_links_external=False, links_external_new_tab=False, url_schemes=('http', 'https', 'mailto', 'ftp'), ref_domains=None, fence_as_directive=set(), number_code_blocks=[], title_to_header=False, heading_anchors=0, heading_slug_func=None, html_meta={}, footnote_sort=True, footnote_transition=True, words_per_minute=200, substitutions={}, linkify_fuzzy_links=True, dmath_allow_labels=True, dmath_allow_space=True, dmath_allow_digits=True, dmath_double_inline=False, update_mathjax=True, mathjax_classes='tex2jax_process|mathjax_process|math|output_area', enable_checkboxes=False, suppress_warnings=[], highlight_code_blocks=True)
+myst v4.0.1: MdParserConfig(commonmark_only=False, gfm_only=False, enable_extensions={'strikethrough', 'attrs_inline', 'dollarmath', 'smartquotes'}, disable_syntax=[], all_links_external=False, links_external_new_tab=False, url_schemes=('http', 'https', 'mailto', 'ftp'), ref_domains=None, fence_as_directive=set(), number_code_blocks=[], title_to_header=False, heading_anchors=0, heading_slug_func=None, html_meta={}, footnote_sort=True, footnote_transition=True, words_per_minute=200, substitutions={}, linkify_fuzzy_links=True, dmath_allow_labels=True, dmath_allow_space=True, dmath_allow_digits=True, dmath_double_inline=False, update_mathjax=True, mathjax_classes='tex2jax_process|mathjax_process|math|output_area', enable_checkboxes=False, suppress_warnings=[], highlight_code_blocks=True)
building [mo]: targets for 0 po files that are out of date
writing output...
building [html]: targets for 2682 source files that are out of date
@@ -66986,8 +67022,8 @@
copying downloadable files... [100%] methods/dft/lrigpw_example.inp
copying static files...
-Writing evaluated template result to /build/reproducible-path/cp2k-2024.2/docs/_build/html/_static/documentation_options.js
Writing evaluated template result to /build/reproducible-path/cp2k-2024.2/docs/_build/html/_static/language_data.js
+Writing evaluated template result to /build/reproducible-path/cp2k-2024.2/docs/_build/html/_static/documentation_options.js
Writing evaluated template result to /build/reproducible-path/cp2k-2024.2/docs/_build/html/_static/basic.css
Writing evaluated template result to /build/reproducible-path/cp2k-2024.2/docs/_build/html/_static/js/versions.js
copying static files: done
@@ -67141,12 +67177,12 @@
-restrictdir SWARM/regtest-glbopt-1)
./do_regtest: line 619: ps: command not found
*************************** testing started ******************************
- started on Sun May 3 07:46:11 -12 2026
+ started on Tue Apr 1 04:03:08 +14 2025
configuration: Linux-x86_64-gfortran-psmp
- regtesting location summary file: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/summary.txt
- regtesting location error_summary file: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/error_summary
- regtesting location memory_summary file: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/memory_summary
- regtesting location output dir: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11
+ regtesting location summary file: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/summary.txt
+ regtesting location error_summary file: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/error_summary
+ regtesting location memory_summary file: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/memory_summary
+ regtesting location output dir: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08
regtesting location last dir: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//LAST-Linux-x86_64-gfortran-psmp
---------------------------- Settings ------------------------------------
maxtasks = 2
@@ -67230,15 +67266,15 @@
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 3150626816 3150626816 bytes
+MEMLOCK max locked-in-memory address space 3151413248 3151413248 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 95983 95983 processes
+NPROC max number of processes 96081 96081 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 95983 95983 signals
+SIGPENDING max number of pending signals 96081 96081 signals
STACK max stack size 8388608 unlimited bytes
--------------------------- SELinux --------------------------------------
No SELinux installation found
@@ -67248,47 +67284,47 @@
------------------------ regtesting cp2k ---------------------------------
------------------------- dynamic libraries linked -----------------------
ldd /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..///exe/Linux-x86_64-gfortran/cp2k.psmp :
- linux-vdso.so.1 (0x00007f8d46d1b000)
- liblapack.so.3 => /lib/x86_64-linux-gnu/liblapack.so.3 (0x00007f8d42800000)
- libblas.so.3 => /lib/x86_64-linux-gnu/libblas.so.3 (0x00007f8d46c94000)
- libfftw3.so.3 => /lib/x86_64-linux-gnu/libfftw3.so.3 (0x00007f8d42400000)
- libfftw3_threads.so.3 => /lib/x86_64-linux-gnu/libfftw3_threads.so.3 (0x00007f8d46c8b000)
- libint2.so.2 => /lib/x86_64-linux-gnu/libint2.so.2 (0x00007f8d40200000)
- libxc.so.9 => /lib/x86_64-linux-gnu/libxc.so.9 (0x00007f8d3f600000)
- libxcf03.so.9 => /lib/x86_64-linux-gnu/libxcf03.so.9 (0x00007f8d46c80000)
- libsymspg.so.2 => /lib/x86_64-linux-gnu/libsymspg.so.2 (0x00007f8d42640000)
- libmpi_mpifh.so.40 => /lib/x86_64-linux-gnu/libmpi_mpifh.so.40 (0x00007f8d46c13000)
- libscalapack-openmpi.so.2.2 => /lib/x86_64-linux-gnu/libscalapack-openmpi.so.2.2 (0x00007f8d3f000000)
- libelpa.so.19 => /lib/x86_64-linux-gnu/libelpa.so.19 (0x00007f8d3eea2000)
- libgfortran.so.5 => /lib/x86_64-linux-gnu/libgfortran.so.5 (0x00007f8d3ea00000)
- libm.so.6 => /lib/x86_64-linux-gnu/libm.so.6 (0x00007f8d3edb2000)
- libmvec.so.1 => /lib/x86_64-linux-gnu/libmvec.so.1 (0x00007f8d3e907000)
- libgomp.so.1 => /lib/x86_64-linux-gnu/libgomp.so.1 (0x00007f8d46bbc000)
- libgcc_s.so.1 => /lib/x86_64-linux-gnu/libgcc_s.so.1 (0x00007f8d46b8f000)
- libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00007f8d3e711000)
- libstdc++.so.6 => /lib/x86_64-linux-gnu/libstdc++.so.6 (0x00007f8d3e400000)
- /lib64/ld-linux-x86-64.so.2 (0x00007f8d46d1d000)
- libmpi.so.40 => /lib/x86_64-linux-gnu/libmpi.so.40 (0x00007f8d3e000000)
- libopen-pal.so.80 => /lib/x86_64-linux-gnu/libopen-pal.so.80 (0x00007f8d3dec3000)
- libpsm2.so.2 => /lib/x86_64-linux-gnu/libpsm2.so.2 (0x00007f8d42f97000)
- libfabric.so.1 => /lib/x86_64-linux-gnu/libfabric.so.1 (0x00007f8d3dcfd000)
- libucp.so.0 => /lib/x86_64-linux-gnu/libucp.so.0 (0x00007f8d3db64000)
- libucs.so.0 => /lib/x86_64-linux-gnu/libucs.so.0 (0x00007f8d40191000)
- libevent_core-2.1.so.7 => /lib/x86_64-linux-gnu/libevent_core-2.1.so.7 (0x00007f8d42f61000)
- libevent_pthreads-2.1.so.7 => /lib/x86_64-linux-gnu/libevent_pthreads-2.1.so.7 (0x00007f8d46b86000)
- libhwloc.so.15 => /lib/x86_64-linux-gnu/libhwloc.so.15 (0x00007f8d3ed4e000)
- libpmix.so.2 => /lib/x86_64-linux-gnu/libpmix.so.2 (0x00007f8d3d800000)
- libucm.so.0 => /lib/x86_64-linux-gnu/libucm.so.0 (0x00007f8d42f42000)
- libuct.so.0 => /lib/x86_64-linux-gnu/libuct.so.0 (0x00007f8d3e6c6000)
- libnl-3.so.200 => /lib/x86_64-linux-gnu/libnl-3.so.200 (0x00007f8d423dd000)
- libnuma.so.1 => /lib/x86_64-linux-gnu/libnuma.so.1 (0x00007f8d46b75000)
- librdmacm.so.1 => /lib/x86_64-linux-gnu/librdmacm.so.1 (0x00007f8d3f5e1000)
- libefa.so.1 => /lib/x86_64-linux-gnu/libefa.so.1 (0x00007f8d42632000)
- libibverbs.so.1 => /lib/x86_64-linux-gnu/libibverbs.so.1 (0x00007f8d3ed2d000)
- libudev.so.1 => /lib/x86_64-linux-gnu/libudev.so.1 (0x00007f8d3e681000)
- libmunge.so.2 => /lib/x86_64-linux-gnu/libmunge.so.2 (0x00007f8d423d1000)
- libnl-route-3.so.200 => /lib/x86_64-linux-gnu/libnl-route-3.so.200 (0x00007f8d3dad1000)
- libcap.so.2 => /lib/x86_64-linux-gnu/libcap.so.2 (0x00007f8d3ed21000)
+ linux-vdso.so.1 (0x00007ffeddd57000)
+ liblapack.so.3 => /lib/x86_64-linux-gnu/liblapack.so.3 (0x00007f3688200000)
+ libblas.so.3 => /lib/x86_64-linux-gnu/libblas.so.3 (0x00007f368c57c000)
+ libfftw3.so.3 => /lib/x86_64-linux-gnu/libfftw3.so.3 (0x00007f3687e00000)
+ libfftw3_threads.so.3 => /lib/x86_64-linux-gnu/libfftw3_threads.so.3 (0x00007f368c573000)
+ libint2.so.2 => /lib/x86_64-linux-gnu/libint2.so.2 (0x00007f3685c00000)
+ libxc.so.9 => /lib/x86_64-linux-gnu/libxc.so.9 (0x00007f3685000000)
+ libxcf03.so.9 => /lib/x86_64-linux-gnu/libxcf03.so.9 (0x00007f36889f7000)
+ libsymspg.so.2 => /lib/x86_64-linux-gnu/libsymspg.so.2 (0x00007f3688040000)
+ libmpi_mpifh.so.40 => /lib/x86_64-linux-gnu/libmpi_mpifh.so.40 (0x00007f368898a000)
+ libscalapack-openmpi.so.2.2 => /lib/x86_64-linux-gnu/libscalapack-openmpi.so.2.2 (0x00007f3684a00000)
+ libelpa.so.19 => /lib/x86_64-linux-gnu/libelpa.so.19 (0x00007f36848a2000)
+ libgfortran.so.5 => /lib/x86_64-linux-gnu/libgfortran.so.5 (0x00007f3684400000)
+ libm.so.6 => /lib/x86_64-linux-gnu/libm.so.6 (0x00007f36847b2000)
+ libmvec.so.1 => /lib/x86_64-linux-gnu/libmvec.so.1 (0x00007f3684307000)
+ libgomp.so.1 => /lib/x86_64-linux-gnu/libgomp.so.1 (0x00007f3685bab000)
+ libgcc_s.so.1 => /lib/x86_64-linux-gnu/libgcc_s.so.1 (0x00007f368895d000)
+ libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00007f3684111000)
+ libstdc++.so.6 => /lib/x86_64-linux-gnu/libstdc++.so.6 (0x00007f3683e00000)
+ /lib64/ld-linux-x86-64.so.2 (0x00007f368c5ff000)
+ libmpi.so.40 => /lib/x86_64-linux-gnu/libmpi.so.40 (0x00007f3683a00000)
+ libopen-pal.so.80 => /lib/x86_64-linux-gnu/libopen-pal.so.80 (0x00007f36838c3000)
+ libpsm2.so.2 => /lib/x86_64-linux-gnu/libpsm2.so.2 (0x00007f3684749000)
+ libfabric.so.1 => /lib/x86_64-linux-gnu/libfabric.so.1 (0x00007f36836fd000)
+ libucp.so.0 => /lib/x86_64-linux-gnu/libucp.so.0 (0x00007f3683564000)
+ libucs.so.0 => /lib/x86_64-linux-gnu/libucs.so.0 (0x00007f36840a2000)
+ libevent_core-2.1.so.7 => /lib/x86_64-linux-gnu/libevent_core-2.1.so.7 (0x00007f3684713000)
+ libevent_pthreads-2.1.so.7 => /lib/x86_64-linux-gnu/libevent_pthreads-2.1.so.7 (0x00007f3688958000)
+ libhwloc.so.15 => /lib/x86_64-linux-gnu/libhwloc.so.15 (0x00007f3683500000)
+ libpmix.so.2 => /lib/x86_64-linux-gnu/libpmix.so.2 (0x00007f3683200000)
+ libucm.so.0 => /lib/x86_64-linux-gnu/libucm.so.0 (0x00007f3687de1000)
+ libuct.so.0 => /lib/x86_64-linux-gnu/libuct.so.0 (0x00007f36834b5000)
+ libnl-3.so.200 => /lib/x86_64-linux-gnu/libnl-3.so.200 (0x00007f3685b88000)
+ libnuma.so.1 => /lib/x86_64-linux-gnu/libnuma.so.1 (0x00007f3688949000)
+ librdmacm.so.1 => /lib/x86_64-linux-gnu/librdmacm.so.1 (0x00007f3684fe1000)
+ libefa.so.1 => /lib/x86_64-linux-gnu/libefa.so.1 (0x00007f3688032000)
+ libibverbs.so.1 => /lib/x86_64-linux-gnu/libibverbs.so.1 (0x00007f3684081000)
+ libudev.so.1 => /lib/x86_64-linux-gnu/libudev.so.1 (0x00007f3683470000)
+ libmunge.so.2 => /lib/x86_64-linux-gnu/libmunge.so.2 (0x00007f3687dd5000)
+ libnl-route-3.so.200 => /lib/x86_64-linux-gnu/libnl-route-3.so.200 (0x00007f368316d000)
+ libcap.so.2 => /lib/x86_64-linux-gnu/libcap.so.2 (0x00007f3684707000)
--------------------------------------------------------------------------
Copying tests into working directory ... done!
CP2K supports: cp2kflags: omp libint fftw3 libxc elpa parallel scalapack spglib
@@ -67318,557 +67354,557 @@
Skipping Fist/regtest-nequip : missing required feature : libtorch
Skipping Fist/regtest-allegro : missing required feature : libtorch
Skipping Fist/regtest-deepmd : missing required feature : deepmd
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-ri-rpa (1 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-ri-rpa
- RI_RPA_H2O.inp -17.145691221376183 OK ( 3.81 sec)
- RI_RPA_H2O_overlap_metric.inp -17.145538849244094 OK ( 4.03 sec)
- RI_RPA_CH3.inp -7.415612316029166 OK ( 4.31 sec)
- RI_RPA_H2O_SYRK.inp -17.145691221376197 OK ( 3.85 sec)
- RI_RPA_minimax_H_atom.inp -0.510122901484697 OK ( 1.73 sec)
- RI_RPA_H2O_minimax.inp -17.145691263471388 OK ( 4.21 sec)
- RI_RPA_H2O_PBE0.inp -17.122863632433699 OK ( 4.03 sec)
- RI_RPA_H2O_PBE0_ADMM1.inp -17.125217824055742 OK ( 5.42 sec)
- RI_RPA_H2O_Obara_Saika.inp -17.160204463745373 OK ( 1.90 sec)
- RI_RPA_H2O_svd.inp -17.145691221376172 OK ( 4.48 sec)
- RI_RPA_H2O_overlap_metric_svd.inp -17.145530117968345 OK ( 3.51 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-ri-rpa (1 of 47) done in 47.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-tddfpt (2 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-tddfpt
- H2O_tddfpt-s-1.inp 0.600232E+00 OK ( 0.54 sec)
- H2O_tddfpt-t-1.inp 0.289055E+00 OK ( 0.47 sec)
- NO_tddfpt-s-1.inp 0.335486E+00 OK ( 2.14 sec)
- NO_tddfpt-t-1.inp 0.342419E+00 OK ( 2.41 sec)
- H2O_tddfpt-s-2.inp 0.543390E+00 OK ( 0.51 sec)
- H2O_tddfpt-t-2.inp 0.548605E+00 OK ( 0.52 sec)
- NO_tddfpt-t-2.inp 0.358683E+00 OK ( 2.75 sec)
- H2O_tddfpt-s-3.inp 0.543390E+00 OK ( 0.49 sec)
- H2O_tddfpt-t-3.inp 0.579030E+00 OK ( 0.52 sec)
- NO_tddfpt-s-3.inp 0.350929E+00 OK ( 1.32 sec)
- NO_tddfpt-t-3.inp 0.358683E+00 OK ( 2.42 sec)
- H2O_tddfpt_NTO.inp 0.542432E+00 OK ( 0.95 sec)
- H2O_tddfpt_NTO_slist.inp 0.542432E+00 OK ( 1.20 sec)
- H2O_tddfpt_NTO_restart.inp 0.542432E+00 OK ( 0.80 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-tddfpt (2 of 47) done in 25.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-tddfpt-force-2 (3 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-tddfpt-force-2
- h2o_f11.inp -17.08499356145038 OK ( 8.16 sec)
- h2o_f12.inp -17.23314438612658 OK ( 4.83 sec)
- h2o_f13.inp -17.21133582247392 OK ( 8.32 sec)
- h2o_f14.inp -17.07269324354488 OK ( 8.49 sec)
- h2o_f15.inp -17.18915026270190 OK ( 3.22 sec)
- h2o_f16.inp -17.18920549420440 OK ( 4.65 sec)
- h2o_f17.inp -17.20475909010489 OK ( 4.46 sec)
- h2o_f18.inp -16.70951393575139 OK ( 5.07 sec)
- h2o_f19.inp -17.21016952558524 OK ( 8.60 sec)
- h2o_f20.inp -17.18911876899797 OK ( 4.19 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-tddfpt-force-2 (3 of 47) done in 65.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-libxc (4 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-libxc
- H2O-hybrid-b3lyp_libxc_uks.inp -76.41035426581170 OK ( 1.55 sec)
- H2O_pbe_libxc_tddfpt-s.inp -17.23116251470401 OK ( 2.00 sec)
- H2O_lda_libxc_tddfpt-s.inp -17.13289833455456 OK ( 2.02 sec)
- H2O_pbe_libxc_tddfpt-t_uks.inp -17.23116251474714 OK ( 3.73 sec)
- H2O-hybrid-b3lyp_libxc.inp -76.41035426581170 OK ( 1.75 sec)
- H2O-hybrid-wb97mv-libxc.inp -76.39611446074747 OK ( 4.47 sec)
- H2O-hybrid-cam-lda0.inp -76.47215215214993 OK ( 1.28 sec)
- H2O_lda_libxc_tddfpt-t_uks.inp -17.13289833455845 OK ( 4.29 sec)
- H2O-tpssx_libxc.inp -33.88300963208588 OK ( 1.37 sec)
- diamond_br89_libxc_uks.inp -11.06630465114342 OK ( 7.56 sec)
- diamond_br89_libxc.inp -11.06581270880672 OK ( 4.90 sec)
- H2O-tpss_lsd.inp -34.34060245665994 OK ( 3.69 sec)
- H2O-hybrid-wb97x2lp-libxc.inp -16.89949370064003 OK ( 2.75 sec)
- H2O-hybrid-wb97x2tqz-libxc.inp -16.91942374569852 OK ( 2.44 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-libxc (4 of 47) done in 52.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-lvlshift (5 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-lvlshift
- c2h2-gpw-inverse.inp -12.47387109223699 OK ( 3.80 sec)
- c2h2-gpw-inverse.inp 0.261219 OK ( 4.30 sec)
- c2h2-gpw-off.inp -12.47387109223698 OK ( 3.58 sec)
- c2h2-gpw-off.inp 0.261219 OK ( 4.19 sec)
- c2h2-gpw-reduce.inp -12.47387109223698 OK ( 3.62 sec)
- c2h2-gpw-reduce.inp 0.261219 OK ( 3.86 sec)
- c2h2-gpw-restore.inp -12.47387109223699 OK ( 4.19 sec)
- c2h2-gpw-restore.inp 0.261219 OK ( 4.08 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-lvlshift (5 of 47) done in 36.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-hfx-periodic (6 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-hfx-periodic
- H2O-trunc-2.inp -75.99943504501113 OK ( 1.22 sec)
- H2O-trunc-auto.inp -75.99943504501114 OK ( 1.31 sec)
- H2O-coul-0.inp -76.02314790926965 OK ( 0.87 sec)
- H2O-trunc-auto-md.inp -0.752385976642E+02 OK ( 2.18 sec)
- CH3-trunc-auto.inp -39.13005530688501 OK ( 1.51 sec)
- CH3-trunc-1.inp -39.36116309682906 OK ( 2.40 sec)
- CH3-trunc-auto-md.inp -0.387264301986E+02 OK ( 3.22 sec)
- CH3-coul-0.inp -39.39910229689107 OK ( 1.32 sec)
- h2o-respa.inp -76.02310918726114 OK ( 8.03 sec)
- h2o-respa_restart.inp -76.02267217092377 OK ( 5.50 sec)
- H2O-id-auto.inp -88.00800458675091 OK ( 0.94 sec)
- graphene_periodic_XY.inp -77.25992466324718 OK ( 1.19 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-hfx-periodic (6 of 47) done in 36.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-tddfpt-lri (7 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-tddfpt-lri
- h2o_lri01_only_es.inp 0.941247E+00 OK ( 8.20 sec)
- h2o_lri02_es_and_gs.inp 0.942150E+00 OK ( 9.90 sec)
- h2o_hfxlr.inp 0.216753E+00 OK ( 4.76 sec)
- h2o_t01.inp 0.247964E+00 OK ( 2.42 sec)
- h2o_t02.inp 0.236972E+00 OK ( 2.28 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-tddfpt-lri (7 of 47) done in 31.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/MC/regtest (8 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/MC/regtest
- MC_QS.inp -51.34794469 OK ( 1.14 sec)
- MC_QS_restart.inp -51.34909000 OK ( 1.35 sec)
- GEMC_NpT_box1.inp 0.49826574 OK ( 0.60 sec)
- GEMC_NVT_box1.inp 0.49803069 OK ( 0.54 sec)
- GEMC_swap_box1.inp 0.55872200 OK ( 1.91 sec)
- canonical.inp 0.55333815 OK ( 0.08 sec)
- canonical_bias.inp 0.38566238 OK ( 0.25 sec)
- virial.inp -.723498E+03 OK ( 0.34 sec)
- hmc.inp -2.49775342 OK ( 12.95 sec)
- MC_QS_cluster.inp -123.50714373283515 OK ( 12.32 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/MC/regtest (8 of 47) done in 37.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-ri-mp2 (9 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-ri-mp2
- RI_MP2_H2O.inp -17.182557666877450 OK ( 5.37 sec)
- RI_MP2_H2O_MME.inp -17.054236987683801 OK ( 2.00 sec)
- RI_MP2_H2O_NONORTHO_MME.inp -17.056851399834585 OK ( 4.77 sec)
- RI_MP2_CH3.inp -7.284101370683141 OK ( 2.22 sec)
- RI_MP2_CH3_single_group.inp -7.284101370683138 OK ( 2.29 sec)
- RI_MP2_CH3_auto.inp -7.283986189880403 OK ( 3.36 sec)
- RI_MP2_H2O_svd.inp -17.049485626821841 OK ( 2.48 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-ri-mp2 (9 of 47) done in 27.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-ps-implicit-2-3 (10 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-ps-implicit-2-3
- H2O_mixed_periodic_cuboidal.inp -17.23631232134669 OK ( 10.92 sec)
- H2O_mixed_periodic_cylindrical.inp -17.32193400041620 OK ( 7.03 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-ps-implicit-2-3 (10 of 47) done in 20.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-polar (11 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-polar
- h2o_LRraman.inp 0.006179870499 OK ( 0.26 sec)
- h2o_LRraman_loc.inp 0.009267643345 OK ( 5.37 sec)
- h2o_LRraman_noort.inp 0.020215112241 OK ( 1.14 sec)
- H2O_md_polar.inp 0.619470373245 OK ( 7.41 sec)
- xTB_LRraman.inp 0.807352993847 OK ( 0.08 sec)
- xTB_LRraman_loc.inp 0.807352993847 OK ( 0.10 sec)
- h2o_LRraman_LRI.inp 0.004283825602 OK ( 2.00 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-polar (11 of 47) done in 20.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/LIBTEST (12 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/LIBTEST
- test_01.inp - OK ( 2.23 sec)
- test_02.inp - OK ( 0.69 sec)
- test_pw.inp - OK ( 0.11 sec)
- test_pw_02.inp - OK ( 0.01 sec)
- test_pw_03.inp - OK ( 0.01 sec)
- test_pw_04.inp - OK ( 12.49 sec)
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-ri-rpa (1 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-ri-rpa
+ RI_RPA_H2O.inp -17.145691221376179 OK ( 3.94 sec)
+ RI_RPA_H2O_overlap_metric.inp -17.145538849244097 OK ( 3.39 sec)
+ RI_RPA_CH3.inp -7.415612316029164 OK ( 4.52 sec)
+ RI_RPA_H2O_SYRK.inp -17.145691221376204 OK ( 3.66 sec)
+ RI_RPA_minimax_H_atom.inp -0.510122901484697 OK ( 1.43 sec)
+ RI_RPA_H2O_minimax.inp -17.145691263471377 OK ( 3.68 sec)
+ RI_RPA_H2O_PBE0.inp -17.122863632433699 OK ( 3.73 sec)
+ RI_RPA_H2O_PBE0_ADMM1.inp -17.125217824055678 OK ( 4.99 sec)
+ RI_RPA_H2O_Obara_Saika.inp -17.160204463745181 OK ( 1.57 sec)
+ RI_RPA_H2O_svd.inp -17.145691221376193 OK ( 3.62 sec)
+ RI_RPA_H2O_overlap_metric_svd.inp -17.145530117968324 OK ( 3.30 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-ri-rpa (1 of 47) done in 43.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-tddfpt (2 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-tddfpt
+ H2O_tddfpt-s-1.inp 0.600232E+00 OK ( 0.53 sec)
+ H2O_tddfpt-t-1.inp 0.289055E+00 OK ( 0.36 sec)
+ NO_tddfpt-s-1.inp 0.335486E+00 OK ( 2.22 sec)
+ NO_tddfpt-t-1.inp 0.342419E+00 OK ( 1.86 sec)
+ H2O_tddfpt-s-2.inp 0.543390E+00 OK ( 0.43 sec)
+ H2O_tddfpt-t-2.inp 0.548605E+00 OK ( 0.45 sec)
+ NO_tddfpt-t-2.inp 0.358683E+00 OK ( 2.17 sec)
+ H2O_tddfpt-s-3.inp 0.543390E+00 OK ( 0.40 sec)
+ H2O_tddfpt-t-3.inp 0.579030E+00 OK ( 0.47 sec)
+ NO_tddfpt-s-3.inp 0.350929E+00 OK ( 1.21 sec)
+ NO_tddfpt-t-3.inp 0.358683E+00 OK ( 2.01 sec)
+ H2O_tddfpt_NTO.inp 0.542432E+00 OK ( 0.86 sec)
+ H2O_tddfpt_NTO_slist.inp 0.542432E+00 OK ( 0.89 sec)
+ H2O_tddfpt_NTO_restart.inp 0.542432E+00 OK ( 0.73 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-tddfpt (2 of 47) done in 20.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-tddfpt-force-2 (3 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-tddfpt-force-2
+ h2o_f11.inp -17.08499356145383 OK ( 6.44 sec)
+ h2o_f12.inp -17.23314438613115 OK ( 4.53 sec)
+ h2o_f13.inp -17.21133582322240 OK ( 9.25 sec)
+ h2o_f14.inp -17.07269324355507 OK ( 9.84 sec)
+ h2o_f15.inp -17.18915026270190 OK ( 2.92 sec)
+ h2o_f16.inp -17.18920549417783 OK ( 4.25 sec)
+ h2o_f17.inp -17.20475909010695 OK ( 4.64 sec)
+ h2o_f18.inp -16.70951393575143 OK ( 4.85 sec)
+ h2o_f19.inp -17.21016952558721 OK ( 8.11 sec)
+ h2o_f20.inp -17.18911876899797 OK ( 4.39 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-tddfpt-force-2 (3 of 47) done in 64.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-libxc (4 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-libxc
+ H2O-hybrid-b3lyp_libxc_uks.inp -76.41035426581172 OK ( 1.68 sec)
+ H2O_pbe_libxc_tddfpt-s.inp -17.23116251470401 OK ( 2.21 sec)
+ H2O_lda_libxc_tddfpt-s.inp -17.13289833455456 OK ( 1.93 sec)
+ H2O_pbe_libxc_tddfpt-t_uks.inp -17.23116251474714 OK ( 4.17 sec)
+ H2O-hybrid-b3lyp_libxc.inp -76.41035426581172 OK ( 1.19 sec)
+ H2O-hybrid-wb97mv-libxc.inp -76.39611446074748 OK ( 3.87 sec)
+ H2O-hybrid-cam-lda0.inp -76.47215215214992 OK ( 0.95 sec)
+ H2O_lda_libxc_tddfpt-t_uks.inp -17.13289833455847 OK ( 3.69 sec)
+ H2O-tpssx_libxc.inp -33.88300963208589 OK ( 1.17 sec)
+ diamond_br89_libxc_uks.inp -11.06630465114343 OK ( 6.07 sec)
+ diamond_br89_libxc.inp -11.06581270880672 OK ( 4.27 sec)
+ H2O-tpss_lsd.inp -34.34060245665997 OK ( 2.95 sec)
+ H2O-hybrid-wb97x2lp-libxc.inp -16.89949370064003 OK ( 2.51 sec)
+ H2O-hybrid-wb97x2tqz-libxc.inp -16.91942374569852 OK ( 2.31 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-libxc (4 of 47) done in 45.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-lvlshift (5 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-lvlshift
+ c2h2-gpw-inverse.inp -12.47387109223699 OK ( 3.14 sec)
+ c2h2-gpw-inverse.inp 0.261219 OK ( 3.23 sec)
+ c2h2-gpw-off.inp -12.47387109223698 OK ( 3.10 sec)
+ c2h2-gpw-off.inp 0.261219 OK ( 3.49 sec)
+ c2h2-gpw-reduce.inp -12.47387109223698 OK ( 3.13 sec)
+ c2h2-gpw-reduce.inp 0.261219 OK ( 3.14 sec)
+ c2h2-gpw-restore.inp -12.47387109223699 OK ( 3.18 sec)
+ c2h2-gpw-restore.inp 0.261219 OK ( 3.22 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-lvlshift (5 of 47) done in 30.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-hfx-periodic (6 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-hfx-periodic
+ H2O-trunc-2.inp -75.99943504501114 OK ( 1.01 sec)
+ H2O-trunc-auto.inp -75.99943504501117 OK ( 1.09 sec)
+ H2O-coul-0.inp -76.02314790926961 OK ( 0.77 sec)
+ H2O-trunc-auto-md.inp -0.752385976642E+02 OK ( 1.93 sec)
+ CH3-trunc-auto.inp -39.13005530688503 OK ( 1.23 sec)
+ CH3-trunc-1.inp -39.36116309682905 OK ( 1.58 sec)
+ CH3-trunc-auto-md.inp -0.387264301986E+02 OK ( 4.30 sec)
+ CH3-coul-0.inp -39.39910229689107 OK ( 1.54 sec)
+ h2o-respa.inp -76.02310918726113 OK ( 7.57 sec)
+ h2o-respa_restart.inp -76.02267217092377 OK ( 5.01 sec)
+ H2O-id-auto.inp -88.00800458675093 OK ( 0.86 sec)
+ graphene_periodic_XY.inp -77.25992466324719 OK ( 1.16 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-hfx-periodic (6 of 47) done in 33.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-tddfpt-lri (7 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-tddfpt-lri
+ h2o_lri01_only_es.inp 0.941247E+00 OK ( 7.09 sec)
+ h2o_lri02_es_and_gs.inp 0.942150E+00 OK ( 7.40 sec)
+ h2o_hfxlr.inp 0.216753E+00 OK ( 3.96 sec)
+ h2o_t01.inp 0.247964E+00 OK ( 2.69 sec)
+ h2o_t02.inp 0.236972E+00 OK ( 2.65 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-tddfpt-lri (7 of 47) done in 26.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/MC/regtest (8 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/MC/regtest
+ MC_QS.inp -51.34794469 OK ( 0.93 sec)
+ MC_QS_restart.inp -51.34909000 OK ( 1.42 sec)
+ GEMC_NpT_box1.inp 0.49826574 OK ( 1.66 sec)
+ GEMC_NVT_box1.inp 0.49803069 OK ( 1.53 sec)
+ GEMC_swap_box1.inp 0.55872200 OK ( 3.84 sec)
+ canonical.inp 0.55333815 OK ( 0.32 sec)
+ canonical_bias.inp 0.38566238 OK ( 0.46 sec)
+ virial.inp -.723498E+03 OK ( 0.22 sec)
+ hmc.inp -2.49775342 OK ( 8.66 sec)
+ MC_QS_cluster.inp -123.50714373283516 OK ( 13.20 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/MC/regtest (8 of 47) done in 37.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-ri-mp2 (9 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-ri-mp2
+ RI_MP2_H2O.inp -17.182557666877447 OK ( 5.50 sec)
+ RI_MP2_H2O_MME.inp -17.054236987683790 OK ( 1.47 sec)
+ RI_MP2_H2O_NONORTHO_MME.inp -17.056851399834581 OK ( 3.71 sec)
+ RI_MP2_CH3.inp -7.284101370683138 OK ( 3.13 sec)
+ RI_MP2_CH3_single_group.inp -7.284101370683138 OK ( 3.10 sec)
+ RI_MP2_CH3_auto.inp -7.283986189880403 OK ( 3.00 sec)
+ RI_MP2_H2O_svd.inp -17.049485626821845 OK ( 2.57 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-ri-mp2 (9 of 47) done in 27.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-ps-implicit-2-3 (10 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-ps-implicit-2-3
+ H2O_mixed_periodic_cuboidal.inp -17.23631232134668 OK ( 10.98 sec)
+ H2O_mixed_periodic_cylindrical.inp -17.32193400041632 OK ( 5.48 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-ps-implicit-2-3 (10 of 47) done in 18.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-polar (11 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-polar
+ h2o_LRraman.inp 0.006179870499 OK ( 0.37 sec)
+ h2o_LRraman_loc.inp 0.009267643345 OK ( 4.16 sec)
+ h2o_LRraman_noort.inp 0.020215112241 OK ( 0.76 sec)
+ H2O_md_polar.inp 0.619262469032 OK ( 6.16 sec)
+ xTB_LRraman.inp 0.807352993847 OK ( 0.09 sec)
+ xTB_LRraman_loc.inp 0.807352993847 OK ( 0.07 sec)
+ h2o_LRraman_LRI.inp 0.004283825602 OK ( 1.77 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-polar (11 of 47) done in 17.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/LIBTEST (12 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/LIBTEST
+ test_01.inp - OK ( 1.82 sec)
+ test_02.inp - OK ( 0.57 sec)
+ test_pw.inp - OK ( 0.19 sec)
+ test_pw_02.inp - OK ( 0.00 sec)
+ test_pw_03.inp - OK ( 0.00 sec)
+ test_pw_04.inp - OK ( 12.45 sec)
test_pw_05.inp - OK ( 0.01 sec)
- test_cp_fm_gemm_01.inp - OK ( 0.67 sec)
- test_cp_fm_gemm_02.inp - OK ( 0.63 sec)
+ test_cp_fm_gemm_01.inp - OK ( 0.48 sec)
+ test_cp_fm_gemm_02.inp - OK ( 0.40 sec)
eig.inp - OK ( 0.01 sec)
- dbcsr_mm_blas.inp - OK ( 0.04 sec)
- dbcsr_multistack.inp - OK ( 0.10 sec)
- dbcsr_types.inp - OK ( 0.07 sec)
- dbcsr_blocks_01.inp 20978908949.261906 OK ( 0.55 sec)
- dbcsr_blocks_02.inp 21229174127.238159 OK ( 0.46 sec)
- dbcsr_blocks_03.inp 21561533688.640675 OK ( 0.41 sec)
- dbcsr_blocks_04.inp 21304439095.777740 OK ( 0.42 sec)
- dbcsr_blocks_05.inp 21455488291.450737 OK ( 0.40 sec)
+ dbcsr_mm_blas.inp - OK ( 0.02 sec)
+ dbcsr_multistack.inp - OK ( 0.06 sec)
+ dbcsr_types.inp - OK ( 0.05 sec)
+ dbcsr_blocks_01.inp 20978908949.261906 OK ( 0.39 sec)
+ dbcsr_blocks_02.inp 21229174127.238159 OK ( 0.34 sec)
+ dbcsr_blocks_03.inp 21561533688.640675 OK ( 0.34 sec)
+ dbcsr_blocks_04.inp 21304439095.777740 OK ( 0.32 sec)
+ dbcsr_blocks_05.inp 21455488291.450737 OK ( 0.33 sec)
dbcsr_blocks_06.inp 165599.60719889530 OK ( 0.01 sec)
- dbcsr_types_01.inp 215164151.09111804 OK ( 0.07 sec)
- dbcsr_types_02.inp 215164151.09111804 OK ( 0.08 sec)
- dbcsr_types_03.inp 215164151.09111804 OK ( 0.09 sec)
- dbcsr_types_04.inp 215164151.09111804 OK ( 0.07 sec)
- dbcsr_types_05.inp 215164151.09111804 OK ( 0.07 sec)
- dbcsr_io_1.inp - OK ( 0.03 sec)
- dbcsr_order_N.inp 1910924.8949438259 OK ( 1.86 sec)
- dbm_blocks_01.inp 20978908949.261597 OK ( 0.36 sec)
- dbm_blocks_02.inp 21229174127.238670 OK ( 0.45 sec)
- dbm_blocks_03.inp 21561533688.640694 OK ( 0.33 sec)
- dbm_blocks_04.inp 21304439095.777515 OK ( 0.36 sec)
+ dbcsr_types_01.inp 215164151.09111804 OK ( 0.04 sec)
+ dbcsr_types_02.inp 215164151.09111804 OK ( 0.05 sec)
+ dbcsr_types_03.inp 215164151.09111804 OK ( 0.05 sec)
+ dbcsr_types_04.inp 215164151.09111804 OK ( 0.05 sec)
+ dbcsr_types_05.inp 215164151.09111804 OK ( 0.04 sec)
+ dbcsr_io_1.inp - OK ( 0.02 sec)
+ dbcsr_order_N.inp 1910924.8949438259 OK ( 1.36 sec)
+ dbm_blocks_01.inp 20978908949.261597 OK ( 0.30 sec)
+ dbm_blocks_02.inp 21229174127.238670 OK ( 0.29 sec)
+ dbm_blocks_03.inp 21561533688.640694 OK ( 0.28 sec)
+ dbm_blocks_04.inp 21304439095.777515 OK ( 0.42 sec)
dbm_blocks_05.inp 21455488291.450775 OK ( 0.34 sec)
dbm_blocks_06.inp 165599.60719889469 OK ( 0.01 sec)
- dbm_order_N.inp 1910924.8949438124 OK ( 0.47 sec)
- test_eri_mme_accuracy.inp - OK ( 0.71 sec)
- test_eri_mme_accuracy_longrange.inp - OK ( 0.72 sec)
- test_eri_mme_accuracy_yukawa.inp - OK ( 0.73 sec)
- test_eri_mme_performance.inp - OK ( 1.04 sec)
- test_minimax.inp - OK ( 0.50 sec)
- test_shg_integrals_01.inp - OK ( 1.00 sec)
- test_shg_integrals_02.inp - OK ( 0.47 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/LIBTEST (12 of 47) done in 49.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-hfx-stress (13 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-hfx-stress
- ch3-admm.inp -7.17220679337E+00 OK ( 5.58 sec)
- ch3.inp 2.83902802206E+01 OK ( 2.86 sec)
- ch4-admm.inp -7.10694854643E+00 OK ( 4.27 sec)
- h2o.inp 1.26297506368E+01 OK ( 1.87 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-hfx-stress (13 of 47) done in 17.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/QS/regtest-2-erf (14 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/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 ( 0.15 sec)
- H2O-qmmm-gauss-14-geep-4.inp -12.90733560862245 OK ( 0.13 sec)
- H2O-qmmm-gauss-14-geep-5.inp -12.92642686633918 OK ( 0.14 sec)
- H2O-qmmm-gauss-14-geep-6.inp -12.92230602230405 OK ( 0.16 sec)
- H2O-qmmm-gauss-14-geep-7.inp -12.91849696653665 OK ( 0.15 sec)
- H2O-qmmm-gauss-14-geep-8.inp -12.91621682584685 OK ( 0.16 sec)
- H2O-qmmm-gauss-14-geep-9.inp -12.91437166178601 OK ( 0.31 sec)
- H2O-qmmm-gauss-14-geep-10.inp -12.91328069126082 OK ( 0.35 sec)
- H2O-qmmm-gauss-14-geep-11.inp -12.91297474165068 OK ( 0.18 sec)
- H2O-qmmm-gauss-14-geep-12.inp -12.91332340555362 OK ( 0.17 sec)
- H2O-qmmm-gauss-14-geep-13.inp -12.91325023093565 OK ( 0.19 sec)
- H2O-qmmm-gauss-14-geep-14.inp -12.91299456139048 OK ( 0.25 sec)
- H2O-qmmm-gauss-14-geep-15.inp -12.91325018773842 OK ( 0.76 sec)
- H2O-qmmm-gauss-14-geep-16.inp -12.91325925146547 OK ( 0.81 sec)
- H2O-qmmm-gauss-14-geep-17.inp -12.91336718382167 OK ( 0.80 sec)
- H2O-qmmm-gauss-14-geep-18.inp -12.91336753631511 OK ( 1.02 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/QS/regtest-2-erf (14 of 47) done in 15.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/QS/regtest-gapw (15 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/QS/regtest-gapw
- C11H24-qmmmgapwall-gauss-0.inp -156.88271046728138 OK ( 1.17 sec)
- C11H24-qmmmgapw-gauss-0.inp -28.0421973526 OK ( 1.38 sec)
- H2O-qmmm-gapw-fdbg.inp -15.85173442489609 OK ( 7.08 sec)
- H2O-qmmm-hfx.inp -0.176043379384E+02 OK ( 2.38 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/QS/regtest-gapw (15 of 47) done in 15.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/DFTB/regtest-nonscc (16 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/DFTB/regtest-nonscc
- ch2o-1.inp -5.82072731467941 OK ( 0.04 sec)
- ch2o-2.inp -5.82159061359821 OK ( 0.05 sec)
- ch2o-3.inp -5.81373413468792 OK ( 0.05 sec)
- ch2o-r.inp -5.81373413468792 OK ( 0.06 sec)
+ dbm_order_N.inp 1910924.8949438124 OK ( 0.82 sec)
+ test_eri_mme_accuracy.inp - OK ( 0.49 sec)
+ test_eri_mme_accuracy_longrange.inp - OK ( 0.54 sec)
+ test_eri_mme_accuracy_yukawa.inp - OK ( 0.51 sec)
+ test_eri_mme_performance.inp - OK ( 0.75 sec)
+ test_minimax.inp - OK ( 0.38 sec)
+ test_shg_integrals_01.inp - OK ( 0.78 sec)
+ test_shg_integrals_02.inp - OK ( 0.36 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/LIBTEST (12 of 47) done in 41.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-hfx-stress (13 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-hfx-stress
+ ch3-admm.inp -7.17220679306E+00 OK ( 5.01 sec)
+ ch3.inp 2.83902802206E+01 OK ( 2.33 sec)
+ ch4-admm.inp -7.10694854625E+00 OK ( 4.10 sec)
+ h2o.inp 1.26297506368E+01 OK ( 1.61 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-hfx-stress (13 of 47) done in 16.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/QS/regtest-2-erf (14 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/QS/regtest-2-erf
+ H2O-qmmm-gauss-14-geep-2.inp -12.90417644796693 OK ( 0.12 sec)
+ H2O-qmmm-gauss-14-geep-3.inp -12.90712061196072 OK ( 0.12 sec)
+ H2O-qmmm-gauss-14-geep-4.inp -12.90733560862246 OK ( 0.13 sec)
+ H2O-qmmm-gauss-14-geep-5.inp -12.92642686633919 OK ( 0.12 sec)
+ H2O-qmmm-gauss-14-geep-6.inp -12.92230602230405 OK ( 0.12 sec)
+ H2O-qmmm-gauss-14-geep-7.inp -12.91849696653665 OK ( 0.12 sec)
+ H2O-qmmm-gauss-14-geep-8.inp -12.91621682584685 OK ( 0.11 sec)
+ H2O-qmmm-gauss-14-geep-9.inp -12.91437166178601 OK ( 0.12 sec)
+ H2O-qmmm-gauss-14-geep-10.inp -12.91328069126082 OK ( 0.12 sec)
+ H2O-qmmm-gauss-14-geep-11.inp -12.91297474165068 OK ( 0.12 sec)
+ H2O-qmmm-gauss-14-geep-12.inp -12.91332340555362 OK ( 0.12 sec)
+ H2O-qmmm-gauss-14-geep-13.inp -12.91325023093565 OK ( 0.14 sec)
+ H2O-qmmm-gauss-14-geep-14.inp -12.91299456139048 OK ( 0.17 sec)
+ H2O-qmmm-gauss-14-geep-15.inp -12.91325018773841 OK ( 0.51 sec)
+ H2O-qmmm-gauss-14-geep-16.inp -12.91325925146547 OK ( 0.47 sec)
+ H2O-qmmm-gauss-14-geep-17.inp -12.91336718382167 OK ( 0.53 sec)
+ H2O-qmmm-gauss-14-geep-18.inp -12.91336753631512 OK ( 0.68 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/QS/regtest-2-erf (14 of 47) done in 11.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/QS/regtest-gapw (15 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/QS/regtest-gapw
+ C11H24-qmmmgapwall-gauss-0.inp -156.88271046728130 OK ( 0.91 sec)
+ C11H24-qmmmgapw-gauss-0.inp -28.0421973526 OK ( 0.93 sec)
+ H2O-qmmm-gapw-fdbg.inp -15.85173442489610 OK ( 7.02 sec)
+ H2O-qmmm-hfx.inp -0.176043379384E+02 OK ( 2.41 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/QS/regtest-gapw (15 of 47) done in 14.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/DFTB/regtest-nonscc (16 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/DFTB/regtest-nonscc
+ ch2o-1.inp -5.82072731467941 OK ( 0.03 sec)
+ ch2o-2.inp -5.82159061359821 OK ( 0.04 sec)
+ ch2o-3.inp -5.81373413468792 OK ( 0.04 sec)
+ ch2o-r.inp -5.81373413468792 OK ( 0.04 sec)
h2-1.inp -0.70875565358819 OK ( 0.01 sec)
h2-2.inp -0.70875565358819 OK ( 0.01 sec)
- h2-3.inp -0.70875565358819 OK ( 0.02 sec)
- h2-4.inp -0.71042952969308 OK ( 0.05 sec)
- h2o-32_1.inp -131.08636939008764 OK ( 0.41 sec)
- h2o-32_2.inp -131.07999691054354 OK ( 0.37 sec)
- h2o-32_3.inp -131.07520911566399 OK ( 0.24 sec)
- h2o-32_4.inp -131.07520911521181 OK ( 1.96 sec)
- MoS.inp -2.99616182900092 OK ( 0.19 sec)
- n2.inp -4.86560729574766 OK ( 0.04 sec)
+ h2-3.inp -0.70875565358819 OK ( 0.01 sec)
+ h2-4.inp -0.71042952969308 OK ( 0.04 sec)
+ h2o-32_1.inp -131.08636939008764 OK ( 0.30 sec)
+ h2o-32_2.inp -131.07999691054354 OK ( 0.30 sec)
+ h2o-32_3.inp -131.07520911566399 OK ( 0.18 sec)
+ h2o-32_4.inp -131.07520911521181 OK ( 1.38 sec)
+ MoS.inp -2.99616182900092 OK ( 0.15 sec)
+ n2.inp -4.86560729574766 OK ( 0.03 sec)
s2.inp -4.83731808711857 OK ( 0.06 sec)
- ch2o_atprop.inp -5.81281420275335 OK ( 0.03 sec)
- MoS_atprop.inp -2.99616182900092 OK ( 0.20 sec)
- h2o-32_atprop.inp -131.08636939008764 OK ( 0.38 sec)
+ ch2o_atprop.inp -5.81281420275335 OK ( 0.02 sec)
+ MoS_atprop.inp -2.99616182900092 OK ( 0.14 sec)
+ h2o-32_atprop.inp -131.08636939008764 OK ( 0.28 sec)
co2_1.inp -8.55586246566686 OK ( 0.02 sec)
co2_2.inp -8.55586246566686 OK ( 0.02 sec)
- co2_3.inp -8.55586246566686 OK ( 0.03 sec)
- si_kp1.inp -10.06358203475393 OK ( 0.45 sec)
- si_kp2.inp - OK ( 2.31 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/DFTB/regtest-nonscc (16 of 47) done in 19.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/ATOM/regtest-2 (17 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/ATOM/regtest-2
- H.inp -0.499999999830 OK ( 0.13 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 ( 0.04 sec)
- F_4.inp -23.517790822115 OK ( 0.03 sec)
- F_5.inp -23.437623684262 OK ( 0.03 sec)
- U.inp -25598.253318868756 OK ( 2.23 sec)
- Ru.inp -15.9518066199 OK ( 1.10 sec)
- Ru_basis.inp -15.951806619855 OK ( 0.03 sec)
- Ru_conf.inp -15.9897774741 OK ( 1.86 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)
+ co2_3.inp -8.55586246566686 OK ( 0.02 sec)
+ si_kp1.inp -10.06358203475393 OK ( 0.27 sec)
+ si_kp2.inp - OK ( 1.97 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/DFTB/regtest-nonscc (16 of 47) done in 15.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/ATOM/regtest-2 (17 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/ATOM/regtest-2
+ H.inp -0.499999999830 OK ( 0.10 sec)
+ He_1.inp -1.399307796698 OK ( 0.01 sec)
+ He_2.inp -1.336212351224 OK ( 0.01 sec)
+ He_3.inp -1.416270865184 OK ( 0.01 sec)
+ He_5.inp -1.408879880907 OK ( 0.01 sec)
+ F_1.inp -24.171954774816 OK ( 0.04 sec)
+ F_2.inp -24.171954774816 OK ( 0.03 sec)
+ F_3.inp -24.171954774816 OK ( 0.03 sec)
+ F_4.inp -23.517790822115 OK ( 0.02 sec)
+ F_5.inp -23.437623684262 OK ( 0.02 sec)
+ U.inp -25598.253318868756 OK ( 1.85 sec)
+ Ru.inp -15.9518066199 OK ( 0.89 sec)
+ Ru_basis.inp -15.951806619855 OK ( 0.02 sec)
+ Ru_conf.inp -15.9897774741 OK ( 1.56 sec)
+ atom_1.inp -0.462506882641 OK ( 0.02 sec)
+ atom_2.inp -0.356859139125 OK ( 0.02 sec)
+ atom_3.inp -0.462506882641 OK ( 0.02 sec)
atom_4.inp -0.146531730136 OK ( 0.03 sec)
- atom_5.inp -0.462506882641 OK ( 0.03 sec)
- atom_c1.inp -0.460470116001 OK ( 0.02 sec)
+ atom_5.inp -0.462506882641 OK ( 0.02 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 ( 0.02 sec)
- atom_c4.inp -0.038182392054 OK ( 0.02 sec)
- atom_c5.inp -0.460470116001 OK ( 0.02 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 ( 0.01 sec)
slater_0.inp -2.847630187388 OK ( 0.01 sec)
slater_1.inp -526.292493965898 OK ( 0.01 sec)
- slater_2.inp -24.243036046111 OK ( 0.12 sec)
+ slater_2.inp -24.243036046111 OK ( 0.09 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 ( 0.03 sec)
- slater_6.inp 3762956.0623941198 OK ( 0.07 sec)
- slater_7.inp -2.8616551305 OK ( 0.45 sec)
- slater_8.inp -0.1875976021 OK ( 0.03 sec)
- slater_9.inp -525.7615443522 OK ( 0.08 sec)
+ slater_4.inp 8.063992740899 OK ( 0.01 sec)
+ slater_5.inp 109583.1142107928 OK ( 0.01 sec)
+ slater_6.inp 3762956.0623941198 OK ( 0.06 sec)
+ slater_7.inp -2.8616551305 OK ( 0.35 sec)
+ slater_8.inp -0.1875976021 OK ( 0.02 sec)
+ slater_9.inp -525.7615443522 OK ( 0.06 sec)
slater_10.inp -2.841058209720 OK ( 0.01 sec)
- Hg.inp -19601.624766751145 OK ( 1.39 sec)
- C.inp -37.799871796427 OK ( 0.12 sec)
- C_ADMM.inp -37.758721798836 OK ( 0.10 sec)
- C_tpss.inp -37.801438870459 OK ( 0.17 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/ATOM/regtest-2 (17 of 47) done in 28.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/QS/regtest-4 (18 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/QS/regtest-4
- crys_per_qmmm.inp -0.08375440741138 OK ( 1.02 sec)
- crys_per_qmmm_anal.inp -0.03306937253911 OK ( 1.06 sec)
- crys_per_qmmm_spln.inp -0.03306936689210 OK ( 0.95 sec)
- crys_per_qmmm_none.inp -0.08375440741161 OK ( 0.70 sec)
- acn-qmmm-re.inp -14.78512402427715 OK ( 0.44 sec)
- acn-conn-1.inp -291.88277950562292 OK ( 3.21 sec)
- wat_nacl.inp -16.691503876246994 OK ( 1.15 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/QS/regtest-4 (18 of 47) done in 12.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/SE/regtest_2 (19 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/SE/regtest_2
- nh3_g4x6_excl_mm.inp -0.913069017786E+01 OK ( 0.39 sec)
- nh3_g4x6_excl_qm.inp -0.913127863162E+01 OK ( 0.47 sec)
- water_colv_excl_mm.inp -0.128071776255E+02 OK ( 0.39 sec)
- water_colv_excl_qm.inp -0.128078086386E+02 OK ( 0.36 sec)
- water_fixd_excl_mm.inp -0.128094856912E+02 OK ( 0.27 sec)
- water_fixd_excl_qm.inp -0.128087667071E+02 OK ( 0.38 sec)
+ Hg.inp -19601.624766751145 OK ( 1.29 sec)
+ C.inp -37.799871796427 OK ( 0.10 sec)
+ C_ADMM.inp -37.758721798836 OK ( 0.08 sec)
+ C_tpss.inp -37.801438870459 OK ( 0.13 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/ATOM/regtest-2 (17 of 47) done in 22.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/QS/regtest-4 (18 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/QS/regtest-4
+ crys_per_qmmm.inp -0.08375440741138 OK ( 0.86 sec)
+ crys_per_qmmm_anal.inp -0.03306937253911 OK ( 0.78 sec)
+ crys_per_qmmm_spln.inp -0.03306936689210 OK ( 0.75 sec)
+ crys_per_qmmm_none.inp -0.08375440741161 OK ( 0.55 sec)
+ acn-qmmm-re.inp -14.78512402428135 OK ( 0.33 sec)
+ acn-conn-1.inp -291.88277950556261 OK ( 2.52 sec)
+ wat_nacl.inp -16.691503876246991 OK ( 0.94 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/QS/regtest-4 (18 of 47) done in 10.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/SE/regtest_2 (19 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/SE/regtest_2
+ nh3_g4x6_excl_mm.inp -0.913069017786E+01 OK ( 0.30 sec)
+ nh3_g4x6_excl_qm.inp -0.913127863162E+01 OK ( 0.35 sec)
+ water_colv_excl_mm.inp -0.128071776255E+02 OK ( 0.42 sec)
+ water_colv_excl_qm.inp -0.128078086386E+02 OK ( 0.32 sec)
+ water_fixd_excl_mm.inp -0.128094856912E+02 OK ( 0.21 sec)
+ water_fixd_excl_qm.inp -0.128087667071E+02 OK ( 0.52 sec)
water_g3x3_excl_mm.inp -0.128057061878E+02 OK ( 0.29 sec)
- water_g3x3_excl_qm.inp -0.128090813557E+02 OK ( 0.36 sec)
- Si_tersoff_qmmm.inp -3418.06809308966831 OK ( 3.30 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/SE/regtest_2 (19 of 47) done in 11.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-mp2-1 (20 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-mp2-1
- H2O-01.inp -76.263035235012254 OK ( 2.63 sec)
- Li.inp -7.442887463667668 OK ( 4.88 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-mp2-1 (20 of 47) done in 9.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/DFTB/regtest (21 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/DFTB/regtest
- wdim_scc.inp -4.071762227106625 OK ( 0.08 sec)
- wdim_nonscc.inp -4.103196491657342 OK ( 0.06 sec)
- wdimmc_scc.inp -4.073207386660247 OK ( 0.07 sec)
- wdimmc_nonscc.inp -4.104297786205957 OK ( 0.05 sec)
- epc_1.inp -4.071784048619485 OK ( 0.09 sec)
- epc_2.inp -4.071742011375123 OK ( 0.08 sec)
- epc_3.inp -4.103221098162718 OK ( 0.07 sec)
- epc_4.inp -4.071792193944630 OK ( 0.11 sec)
- fdeb_1.inp - OK ( 1.36 sec)
- fdeb_2.inp - OK ( 1.44 sec)
- fdeb_3.inp - OK ( 0.64 sec)
- fdeb_4.inp - OK ( 2.36 sec)
- fdeb_5.inp - OK ( 1.15 sec)
- fdeb_6.inp - OK ( 2.41 sec)
- fdeb_7.inp - OK ( 3.62 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/DFTB/regtest (21 of 47) done in 22.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-sccs-2 (22 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-sccs-2
- H2O_sccs_otdiis_cd5.inp -17.22654049702944 OK ( 5.44 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-sccs-2 (22 of 47) done in 6.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-md-lgvregion (23 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-md-lgvregion
- langevin_regions-1.inp -34.28350497029996 OK ( 0.81 sec)
- langevin_regions-2.inp -34.29678091854694 OK ( 1.06 sec)
- langevin_regions-3.inp -34.28350497029995 OK ( 0.82 sec)
- langevin_regions-4.inp -34.28727330165907 OK ( 0.94 sec)
- langevin_regions-5.inp -34.36743843099325 OK ( 1.53 sec)
- langevin_regions-6.inp -34.36335813030995 OK ( 1.26 sec)
- langevin_regions-7.inp -34.37404120268138 OK ( 1.18 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-md-lgvregion (23 of 47) done in 13.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-hirshfeld (24 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-hirshfeld
- htest_1.inp -17.14603641519600 OK ( 0.17 sec)
- htest_2.inp -17.14603641519600 OK ( 0.22 sec)
- htest_3.inp -17.14603641519600 OK ( 0.21 sec)
- htest_4.inp -17.14603641519600 OK ( 0.18 sec)
- htest_5.inp -17.14603641519601 OK ( 0.19 sec)
- htest_6.inp -17.14603641519600 OK ( 0.31 sec)
- htest_7.inp -17.13771713041177 OK ( 0.23 sec)
- htest_8.inp -17.13771713041178 OK ( 0.23 sec)
- htest_9.inp -17.13771713041178 OK ( 0.39 sec)
- hlsd_1.inp -16.81101156813313 OK ( 0.31 sec)
- hlsd_2.inp -16.81101156813313 OK ( 0.40 sec)
+ water_g3x3_excl_qm.inp -0.128090813557E+02 OK ( 0.32 sec)
+ Si_tersoff_qmmm.inp -3418.06809308966831 OK ( 3.27 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/SE/regtest_2 (19 of 47) done in 11.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-mp2-1 (20 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-mp2-1
+ H2O-01.inp -76.263035235012197 OK ( 2.47 sec)
+ Li.inp -7.442887463667668 OK ( 2.96 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-mp2-1 (20 of 47) done in 7.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/DFTB/regtest (21 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/DFTB/regtest
+ wdim_scc.inp -4.071762227106625 OK ( 0.05 sec)
+ wdim_nonscc.inp -4.103196491657342 OK ( 0.03 sec)
+ wdimmc_scc.inp -4.073207386660247 OK ( 0.08 sec)
+ wdimmc_nonscc.inp -4.104297786205957 OK ( 0.03 sec)
+ epc_1.inp -4.071784048619485 OK ( 0.08 sec)
+ epc_2.inp -4.071742011375123 OK ( 0.03 sec)
+ epc_3.inp -4.103221098162718 OK ( 0.04 sec)
+ epc_4.inp -4.071792193944630 OK ( 0.06 sec)
+ fdeb_1.inp - OK ( 0.88 sec)
+ fdeb_2.inp - OK ( 1.48 sec)
+ fdeb_3.inp - OK ( 0.26 sec)
+ fdeb_4.inp - OK ( 1.59 sec)
+ fdeb_5.inp - OK ( 0.73 sec)
+ fdeb_6.inp - OK ( 2.02 sec)
+ fdeb_7.inp - OK ( 3.21 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/DFTB/regtest (21 of 47) done in 17.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-sccs-2 (22 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-sccs-2
+ H2O_sccs_otdiis_cd5.inp -17.22654049702943 OK ( 4.59 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-sccs-2 (22 of 47) done in 6.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-md-lgvregion (23 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-md-lgvregion
+ langevin_regions-1.inp -34.28350497029996 OK ( 0.63 sec)
+ langevin_regions-2.inp -34.29678091854694 OK ( 0.68 sec)
+ langevin_regions-3.inp -34.28350497029998 OK ( 0.66 sec)
+ langevin_regions-4.inp -34.28727330165906 OK ( 0.64 sec)
+ langevin_regions-5.inp -34.36743843099327 OK ( 0.90 sec)
+ langevin_regions-6.inp -34.36335813030993 OK ( 1.07 sec)
+ langevin_regions-7.inp -34.37404120268137 OK ( 0.90 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-md-lgvregion (23 of 47) done in 9.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-hirshfeld (24 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-hirshfeld
+ htest_1.inp -17.14603641519601 OK ( 0.16 sec)
+ htest_2.inp -17.14603641519601 OK ( 0.15 sec)
+ htest_3.inp -17.14603641519600 OK ( 0.18 sec)
+ htest_4.inp -17.14603641519600 OK ( 0.16 sec)
+ htest_5.inp -17.14603641519600 OK ( 0.16 sec)
+ htest_6.inp -17.14603641519600 OK ( 0.20 sec)
+ htest_7.inp -17.13771713041179 OK ( 0.19 sec)
+ htest_8.inp -17.13771713041177 OK ( 0.19 sec)
+ htest_9.inp -17.13771713041178 OK ( 0.23 sec)
+ hlsd_1.inp -16.81101156813314 OK ( 0.29 sec)
+ hlsd_2.inp -16.81101156813314 OK ( 0.42 sec)
hlsd_3.inp -16.81101156813313 OK ( 0.41 sec)
- hlsd_4.inp -16.81101156813313 OK ( 0.36 sec)
- hlsd_5.inp -16.81101156813313 OK ( 0.42 sec)
- hlsd_6.inp -16.80070757658132 OK ( 0.47 sec)
- hlsd_7.inp -16.80070757658133 OK ( 0.50 sec)
- hlsd_8.inp -16.80070757658133 OK ( 0.55 sec)
- hlsd_9.inp -16.80070757658134 OK ( 0.49 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-hirshfeld (24 of 47) done in 16.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-almo-eda (25 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-almo-eda
- almo-eda-x.inp -85.963743073058524 OK ( 5.65 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-almo-eda (25 of 47) done in 7.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-gpw-2-1 (26 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-gpw-2-1
- H2-vib.inp 3855.524137 OK ( 4.06 sec)
- H2-vib_tc.inp -5.75148845 OK ( 3.53 sec)
- N2_raman.inp 2662.743559 OK ( 10.59 sec)
- H2O-2.inp -17.14619644944913 OK ( 0.43 sec)
- H2O-3.inp -17.14553123442894 OK ( 0.46 sec)
- H2O-4.inp -17.14677584577025 OK ( 0.49 sec)
- ZrO.inp -62.20561057734395 OK ( 0.28 sec)
- Ar-12.inp -21.04251999575908 OK ( 0.47 sec)
- Ar-13.inp -21.12624107439710 OK ( 0.41 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-gpw-2-1 (26 of 47) done in 26.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-gapw-2 (27 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-gapw-2
- Li-ROKS.inp -7.33891040994162 OK ( 0.65 sec)
- NO2-ROKS.inp -203.77833570926884 OK ( 1.28 sec)
- C-levelshift.inp -37.44694658478303 OK ( 0.68 sec)
- H2-pbe-restart-run.inp -0.60698327541571 OK ( 2.24 sec)
- H2-pbe-restart-rerun.inp -0.60698327541577 OK ( 0.64 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-gapw-2 (27 of 47) done in 9.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-dm-ls-scf-4 (28 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-dm-ls-scf-4
- H2O-dft-ls-DEFAULTS.inp -17.031737705912356 OK ( 1.20 sec)
- H2O-dft-ls-NEWTONSCHULZ.inp -17.031737705912356 OK ( 0.88 sec)
- H2O-dft-ls-PROOT3.inp -17.031737715859990 OK ( 0.75 sec)
- H2O-dft-ls-PROOT4.inp -17.031737702677937 OK ( 0.69 sec)
- H2O-dft-ls-PROOT5.inp -17.031737600352216 OK ( 1.05 sec)
- H2O-dft-ls-NEWTONSCHULZ3.inp -17.031737706156235 OK ( 0.68 sec)
- H2O-dft-ls-NEWTONSCHULZ4.inp -17.031737706156232 OK ( 0.68 sec)
- H2O-dft-ls-NEWTONSCHULZ5.inp -17.031737706156228 OK ( 1.10 sec)
- H2O-dft-ls-NEWTONSCHULZ6.inp -17.031737706156161 OK ( 0.55 sec)
- H2O-dft-ls-NEWTONSCHULZ7.inp -17.031737706162673 OK ( 0.78 sec)
- H2O-dft-ls-NEWTONSCHULZ-SYMMETRIC.inp -17.031737705912356 OK ( 0.81 sec)
- H2O-dft-ls-SUBMATRIX-NS.inp -17.031737705912356 OK ( 0.80 sec)
- H2O-dft-ls-SUBMATRIX-NS3.inp -17.031737706156232 OK ( 0.71 sec)
- H2O-dft-ls-SUBMATRIX-DIRECT.inp -17.031737706156235 OK ( 0.48 sec)
- H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ.inp -17.031737706156235 OK ( 0.62 sec)
- H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ-LOWMEM.inp -17.031737706156235 OK ( 1.14 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-dm-ls-scf-4 (28 of 47) done in 24.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-all-electron (29 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-all-electron
- H2O-xrd.inp -9.9999991403 OK ( 2.05 sec)
- H2O-rhotot-cube.inp -9.9999990366 OK ( 2.55 sec)
- NO2-rhotot-cube.inp -1.0000002244 OK ( 4.73 sec)
- H2O-rho_hard_approx-cube.inp -10.0000390554 OK ( 1.70 sec)
- NO2-rho_hard_approx-cube.inp -1.0000006762 OK ( 2.84 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-all-electron (29 of 47) done in 18.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-double-hybrid-2 (30 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-double-hybrid-2
- H2O_B2GPPLYP.inp -76.279036985508782 OK ( 2.73 sec)
- H2O_DSD-BLYP.inp -76.311305833143166 OK ( 2.56 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-double-hybrid-2 (30 of 47) done in 7.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-hybrid-1 (31 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-hybrid-1
- H2O-hybrid-bhandh.inp -75.90482120088625 OK ( 1.19 sec)
- H2O-hybrid-bhandhlyp.inp -76.33558053104204 OK ( 1.29 sec)
- H2O-hybrid-pbe0.inp -76.31995335312703 OK ( 1.31 sec)
- H2O-hybrid-b3lyp.inp -76.37338940401877 OK ( 1.42 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-hybrid-1 (31 of 47) done in 9.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/FARMING/regtest-1 (32 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/FARMING/regtest-1
- farming-1.inp - OK ( 0.48 sec)
- farming-2.inp - OK ( 0.53 sec)
- farming-3.inp - OK ( 0.46 sec)
- farming-4.inp - OK ( 0.50 sec)
- farming-5.inp - OK ( 0.55 sec)
- farming-6.inp - OK ( 0.49 sec)
- farming-7.inp - OK ( 0.53 sec)
- farming-8.inp - OK ( 0.43 sec)
- farming-9.inp - OK ( 0.08 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/FARMING/regtest-1 (32 of 47) done in 9.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-cdft-3-1 (33 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-cdft-3-1
- HeH-noconstraint.inp -3.01067446615065 OK ( 0.87 sec)
- HeH-cdft-state-1.inp 0.048406444545 OK ( 1.37 sec)
- HeH-cdft-state-2-reversed.inp -1.819391902440 OK ( 1.32 sec)
- HeH-mixed-cdft-reversed-1.inp 616.641603574682 OK ( 0.37 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-cdft-3-1 (33 of 47) done in 7.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-optbas (34 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-optbas
- H2O-ref.inp -17.02896604845334 OK ( 0.65 sec)
- H2-ref.inp -1.11824989194244 OK ( 0.42 sec)
- opt-1.inp -.46916008E+03 OK ( 1.95 sec)
- opt-2.inp -.55279835E+03 OK ( 2.03 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-optbas (34 of 47) done in 8.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-ot-refine-3 (35 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-ot-refine-3
- h2o_ot_lwdn_on_the_fly_l1.inp -17.13045715683762 OK ( 0.23 sec)
- h2o_ot_poly_on_the_fly_l1.inp -17.13045715683762 OK ( 0.25 sec)
- o2_ot_lwdn_on_the_fly_l1.inp -31.70815200232894 OK ( 0.58 sec)
- o2_ot_poly_on_the_fly_l1.inp -31.70815200232895 OK ( 0.51 sec)
- h2o_ot_refine_3.inp -17.08884672065211 OK ( 0.14 sec)
- h2o_ot_refine_4.inp -17.11857283464188 OK ( 0.20 sec)
- o2_ot_refine_3.inp -31.60858514413052 OK ( 0.28 sec)
- o2_ot_refine_4.inp -31.58768162895350 OK ( 0.31 sec)
+ hlsd_4.inp -16.81101156813313 OK ( 0.40 sec)
+ hlsd_5.inp -16.81101156813313 OK ( 0.40 sec)
+ hlsd_6.inp -16.80070757658132 OK ( 0.34 sec)
+ hlsd_7.inp -16.80070757658133 OK ( 0.34 sec)
+ hlsd_8.inp -16.80070757658133 OK ( 0.41 sec)
+ hlsd_9.inp -16.80070757658135 OK ( 0.48 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-hirshfeld (24 of 47) done in 13.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-almo-eda (25 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-almo-eda
+ almo-eda-x.inp -85.963743073058524 OK ( 3.92 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-almo-eda (25 of 47) done in 5.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-gpw-2-1 (26 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-gpw-2-1
+ H2-vib.inp 3855.524137 OK ( 1.91 sec)
+ H2-vib_tc.inp -5.75148845 OK ( 2.22 sec)
+ N2_raman.inp 2662.743559 OK ( 7.58 sec)
+ H2O-2.inp -17.14619644944913 OK ( 0.28 sec)
+ H2O-3.inp -17.14553123442894 OK ( 0.42 sec)
+ H2O-4.inp -17.14677584577025 OK ( 0.62 sec)
+ ZrO.inp -62.20561057734394 OK ( 0.21 sec)
+ Ar-12.inp -21.04251999575907 OK ( 0.37 sec)
+ Ar-13.inp -21.12624107439711 OK ( 0.34 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-gpw-2-1 (26 of 47) done in 19.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-gapw-2 (27 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-gapw-2
+ Li-ROKS.inp -7.33891040994162 OK ( 0.51 sec)
+ NO2-ROKS.inp -203.77833570926879 OK ( 1.01 sec)
+ C-levelshift.inp -37.44694658478303 OK ( 0.57 sec)
+ H2-pbe-restart-run.inp -0.60698327541571 OK ( 1.73 sec)
+ H2-pbe-restart-rerun.inp -0.60698327541577 OK ( 0.51 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-gapw-2 (27 of 47) done in 7.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-dm-ls-scf-4 (28 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-dm-ls-scf-4
+ H2O-dft-ls-DEFAULTS.inp -17.031737705912356 OK ( 0.32 sec)
+ H2O-dft-ls-NEWTONSCHULZ.inp -17.031737705912356 OK ( 0.44 sec)
+ H2O-dft-ls-PROOT3.inp -17.031737715859990 OK ( 0.32 sec)
+ H2O-dft-ls-PROOT4.inp -17.031737702677937 OK ( 0.34 sec)
+ H2O-dft-ls-PROOT5.inp -17.031737600352216 OK ( 0.32 sec)
+ H2O-dft-ls-NEWTONSCHULZ3.inp -17.031737706156235 OK ( 0.31 sec)
+ H2O-dft-ls-NEWTONSCHULZ4.inp -17.031737706156228 OK ( 0.31 sec)
+ H2O-dft-ls-NEWTONSCHULZ5.inp -17.031737706156235 OK ( 0.33 sec)
+ H2O-dft-ls-NEWTONSCHULZ6.inp -17.031737706156157 OK ( 0.31 sec)
+ H2O-dft-ls-NEWTONSCHULZ7.inp -17.031737706162673 OK ( 0.34 sec)
+ H2O-dft-ls-NEWTONSCHULZ-SYMMETRIC.inp -17.031737705912356 OK ( 0.42 sec)
+ H2O-dft-ls-SUBMATRIX-NS.inp -17.031737705912356 OK ( 0.31 sec)
+ H2O-dft-ls-SUBMATRIX-NS3.inp -17.031737706156232 OK ( 0.32 sec)
+ H2O-dft-ls-SUBMATRIX-DIRECT.inp -17.031737706156235 OK ( 0.31 sec)
+ H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ.inp -17.031737706156235 OK ( 0.31 sec)
+ H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ-LOWMEM.inp -17.031737706156235 OK ( 0.32 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-dm-ls-scf-4 (28 of 47) done in 12.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-all-electron (29 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-all-electron
+ H2O-xrd.inp -9.9999991403 OK ( 0.73 sec)
+ H2O-rhotot-cube.inp -9.9999990366 OK ( 0.99 sec)
+ NO2-rhotot-cube.inp -1.0000002244 OK ( 2.38 sec)
+ H2O-rho_hard_approx-cube.inp -10.0000390554 OK ( 0.78 sec)
+ NO2-rho_hard_approx-cube.inp -1.0000006762 OK ( 1.01 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-all-electron (29 of 47) done in 9.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-double-hybrid-2 (30 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-double-hybrid-2
+ H2O_B2GPPLYP.inp -76.279036985508768 OK ( 1.77 sec)
+ H2O_DSD-BLYP.inp -76.311305833143166 OK ( 1.78 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-double-hybrid-2 (30 of 47) done in 6.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-hybrid-1 (31 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-hybrid-1
+ H2O-hybrid-bhandh.inp -75.90482120088625 OK ( 0.96 sec)
+ H2O-hybrid-bhandhlyp.inp -76.33558053104205 OK ( 0.96 sec)
+ H2O-hybrid-pbe0.inp -76.31995335312702 OK ( 0.99 sec)
+ H2O-hybrid-b3lyp.inp -76.37338940401878 OK ( 0.94 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-hybrid-1 (31 of 47) done in 6.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/FARMING/regtest-1 (32 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/FARMING/regtest-1
+ farming-1.inp - OK ( 0.39 sec)
+ farming-2.inp - OK ( 0.39 sec)
+ farming-3.inp - OK ( 0.40 sec)
+ farming-4.inp - OK ( 0.42 sec)
+ farming-5.inp - OK ( 0.43 sec)
+ farming-6.inp - OK ( 0.33 sec)
+ farming-7.inp - OK ( 0.40 sec)
+ farming-8.inp - OK ( 0.38 sec)
+ farming-9.inp - OK ( 0.09 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/FARMING/regtest-1 (32 of 47) done in 8.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-cdft-3-1 (33 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-cdft-3-1
+ HeH-noconstraint.inp -3.01067446615065 OK ( 0.88 sec)
+ HeH-cdft-state-1.inp 0.048406444550 OK ( 1.08 sec)
+ HeH-cdft-state-2-reversed.inp -1.819391902440 OK ( 1.15 sec)
+ HeH-mixed-cdft-reversed-1.inp 616.641603575006 OK ( 0.32 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-cdft-3-1 (33 of 47) done in 6.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-optbas (34 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-optbas
+ H2O-ref.inp -17.02896604845335 OK ( 0.51 sec)
+ H2-ref.inp -1.11824989194244 OK ( 0.37 sec)
+ opt-1.inp -.46916008E+03 OK ( 1.62 sec)
+ opt-2.inp -.55279835E+03 OK ( 1.81 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-optbas (34 of 47) done in 7.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-ot-refine-3 (35 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-ot-refine-3
+ h2o_ot_lwdn_on_the_fly_l1.inp -17.13045715683762 OK ( 0.25 sec)
+ h2o_ot_poly_on_the_fly_l1.inp -17.13045715683763 OK ( 0.19 sec)
+ o2_ot_lwdn_on_the_fly_l1.inp -31.70815200232900 OK ( 0.32 sec)
+ o2_ot_poly_on_the_fly_l1.inp -31.70815200232900 OK ( 0.35 sec)
+ h2o_ot_refine_3.inp -17.08884672065211 OK ( 0.15 sec)
+ h2o_ot_refine_4.inp -17.11857283464188 OK ( 0.14 sec)
+ o2_ot_refine_3.inp -31.60858514413053 OK ( 0.22 sec)
+ o2_ot_refine_4.inp -31.58768162895351 OK ( 0.18 sec)
h2o_ot_precond_1.inp -16.05766867329444 OK ( 0.07 sec)
- h2o_ot_precond_2.inp -16.06790080254975 OK ( 0.07 sec)
- h2o_ot_precond_3.inp -16.02559849783371 OK ( 0.10 sec)
- h2o_ot_precond_4.inp -15.85782186391534 OK ( 0.07 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-ot-refine-3 (35 of 47) done in 9.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/NEB/regtest-1 (36 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/NEB/regtest-1
- 2gly_B-NEB.inp -0.25722568775278 OK ( 0.52 sec)
- 2gly_CI-NEB.inp -0.18925537289822 OK ( 0.62 sec)
- 2gly_EB-NEB.inp 49.27319370383207 OK ( 0.66 sec)
- 2gly_IT-NEB.inp 0.38518828458623 OK ( 0.53 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/NEB/regtest-1 (36 of 47) done in 6.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/Fist/regtest-11 (37 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/Fist/regtest-11
- H2O-32_NVT_CSVR_gen1.inp -0.609208076083E+00 OK ( 0.15 sec)
- H2O-32_NVT_CSVR_gen2.inp -0.532133592588E+00 OK ( 0.15 sec)
- H2O-32_NVT_CSVR_gen3.inp -0.500113893497E+00 OK ( 0.18 sec)
- H2O-32_NVT_NOSE_gen_noCNS0.inp -0.492823650978E+00 OK ( 0.15 sec)
- H2O-32_NVT_CSVR_gen_noCNS1.inp -0.509272888286E+00 OK ( 0.17 sec)
- H2O-32_NVT_CSVR_gen_noCNS1_R.inp -0.458244617541E+00 OK ( 0.15 sec)
- H2O-32_NVT_CSVR_gen_noCNS2.inp -0.505086327342E+00 OK ( 0.14 sec)
- H2O-32_NVT_CSVR_gen_noCNS2_R.inp -0.448996689945E+00 OK ( 0.15 sec)
- H2O-32_NVT_NOSE_gen_noCNS1.inp -0.495791635301E+00 OK ( 0.17 sec)
- H2O-32_NVT_NOSE_gen_noCNS1_R.inp -0.494111874054E+00 OK ( 0.13 sec)
- H2O-32_NVT_NOSE_gen_noCNS2.inp -0.484511068410E+00 OK ( 0.12 sec)
- H2O-32_NVT_NOSE_gen_noCNS2_R.inp -0.470407397710E+00 OK ( 0.18 sec)
- H2O-32_NVT_CSVR_gen_noCNS3.inp -0.505086327342E+00 OK ( 0.15 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/Fist/regtest-11 (37 of 47) done in 9.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/SWARM/regtest-glbopt-1 (38 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/SWARM/regtest-glbopt-1
- LJ10_minhop_1.inp -0.26595092E-01 OK ( 0.21 sec)
- LJ10_minhop_2.inp -0.28422123E-01 OK ( 0.14 sec)
- LJ10_mincrawl_1.inp -0.28422179E-01 OK ( 0.80 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/SWARM/regtest-glbopt-1 (38 of 47) done in 3.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-properties/resp (39 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-properties/resp
- CH3OH_nonperiodic.inp 4.418290 OK ( 0.27 sec)
- CH3OH_periodic.inp 2.456029 OK ( 0.25 sec)
- graphite.inp -1.073313 OK ( 0.67 sec)
- CH3OH_periodic_repeat.inp -4.871712 OK ( 0.23 sec)
- graphite_REPEAT.inp 0.006058 OK ( 0.66 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-properties/resp (39 of 47) done in 6.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-pao-3 (40 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-pao-3
- He_ref.inp -2.889334869153457 OK ( 0.71 sec)
- He_pao_initguess_exp.inp -2.888972913350901 OK ( 0.51 sec)
- He_pao_initguess_fock.inp -2.888972913350901 OK ( 0.38 sec)
- He_pao_initguess_rotinv.inp -2.888972913350901 OK ( 0.50 sec)
- He_pao_initguess_gth.inp -2.888972913350901 OK ( 0.47 sec)
- He_pao_initguess_equi.inp -2.888972913384499 OK ( 0.78 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-pao-3 (40 of 47) done in 8.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/optimize_input/regtest-1 (41 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/optimize_input/regtest-1
- argon-ref.inp - OK ( 0.12 sec)
- driver.inp 0.1072347063760515E+03 OK ( 0.64 sec)
- driver-restart.inp 0.1076965059321590E+03 OK ( 0.64 sec)
- driver-stride.inp 0.1072343388958498E+03 OK ( 0.12 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/optimize_input/regtest-1 (41 of 47) done in 5.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/FE/regtest-2 (42 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/FE/regtest-2
- Solv_alch_chng.inp -0.732003926645E+01 OK ( 4.45 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/FE/regtest-2 (42 of 47) done in 6.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-linearscaling (43 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-linearscaling
- test-shrt.inp - OK ( 0.37 sec)
- w3-filter.inp -51.14051793253210 OK ( 0.77 sec)
- w3-filter-2.inp -78.30555080313511 OK ( 0.37 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-linearscaling (43 of 47) done in 4.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/SE/regtest-3-1 (44 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/SE/regtest-3-1
- H2O-MNDO-2.inp -351.42145109555833 OK ( 0.18 sec)
- H-0.inp -0.319258384771667 OK ( 0.08 sec)
- H2-0.inp -0.993280881213762 OK ( 0.22 sec)
- H2.inp -0.037305167769230 OK ( 0.09 sec)
- H2O-MNDO.inp -12.913048351744974 OK ( 1.02 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/SE/regtest-3-1 (44 of 47) done in 5.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/QS/regtest-lrigpw (45 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/QS/regtest-lrigpw
- C11H24-qmmm-gauss-0-lrigpw.inp -28.00745026097403 OK ( 1.02 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QMMM/QS/regtest-lrigpw (45 of 47) done in 3.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-fftw (46 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-fftw
- H2-big-1.inp -28.149134408985859 OK ( 0.84 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-fftw (46 of 47) done in 2.00 sec
-Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-elpa (47 of 47)
->>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-elpa
- H2O-6.inp -17.14603641519600 OK ( 1.47 sec)
-<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/tests/QS/regtest-elpa (47 of 47) done in 3.00 sec
+ h2o_ot_precond_2.inp -16.06790080254975 OK ( 0.06 sec)
+ h2o_ot_precond_3.inp -16.02559849783371 OK ( 0.07 sec)
+ h2o_ot_precond_4.inp -15.85782186391534 OK ( 0.06 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-ot-refine-3 (35 of 47) done in 7.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/NEB/regtest-1 (36 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/NEB/regtest-1
+ 2gly_B-NEB.inp -0.25722568775278 OK ( 0.48 sec)
+ 2gly_CI-NEB.inp -0.18925537289822 OK ( 0.45 sec)
+ 2gly_EB-NEB.inp 49.27319370383207 OK ( 0.46 sec)
+ 2gly_IT-NEB.inp 0.38518828458624 OK ( 0.36 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/NEB/regtest-1 (36 of 47) done in 4.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/Fist/regtest-11 (37 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/Fist/regtest-11
+ H2O-32_NVT_CSVR_gen1.inp -0.609208076083E+00 OK ( 0.13 sec)
+ H2O-32_NVT_CSVR_gen2.inp -0.532133592588E+00 OK ( 0.13 sec)
+ H2O-32_NVT_CSVR_gen3.inp -0.500113893497E+00 OK ( 0.13 sec)
+ H2O-32_NVT_NOSE_gen_noCNS0.inp -0.492823650978E+00 OK ( 0.13 sec)
+ H2O-32_NVT_CSVR_gen_noCNS1.inp -0.509272888286E+00 OK ( 0.14 sec)
+ H2O-32_NVT_CSVR_gen_noCNS1_R.inp -0.458244617541E+00 OK ( 0.12 sec)
+ H2O-32_NVT_CSVR_gen_noCNS2.inp -0.505086327342E+00 OK ( 0.10 sec)
+ H2O-32_NVT_CSVR_gen_noCNS2_R.inp -0.448996689945E+00 OK ( 0.12 sec)
+ H2O-32_NVT_NOSE_gen_noCNS1.inp -0.495791635301E+00 OK ( 0.14 sec)
+ H2O-32_NVT_NOSE_gen_noCNS1_R.inp -0.494111874054E+00 OK ( 0.19 sec)
+ H2O-32_NVT_NOSE_gen_noCNS2.inp -0.484511068410E+00 OK ( 0.18 sec)
+ H2O-32_NVT_NOSE_gen_noCNS2_R.inp -0.470407397710E+00 OK ( 0.17 sec)
+ H2O-32_NVT_CSVR_gen_noCNS3.inp -0.505086327342E+00 OK ( 0.13 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/Fist/regtest-11 (37 of 47) done in 8.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/SWARM/regtest-glbopt-1 (38 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/SWARM/regtest-glbopt-1
+ LJ10_minhop_1.inp -0.26595092E-01 OK ( 0.14 sec)
+ LJ10_minhop_2.inp -0.28422123E-01 OK ( 0.10 sec)
+ LJ10_mincrawl_1.inp -0.28422018E-01 OK ( 1.08 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/SWARM/regtest-glbopt-1 (38 of 47) done in 3.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-properties/resp (39 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-properties/resp
+ CH3OH_nonperiodic.inp 4.418290 OK ( 0.18 sec)
+ CH3OH_periodic.inp 2.456029 OK ( 0.22 sec)
+ graphite.inp -1.073313 OK ( 0.56 sec)
+ CH3OH_periodic_repeat.inp -4.871712 OK ( 0.22 sec)
+ graphite_REPEAT.inp 0.006058 OK ( 0.53 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-properties/resp (39 of 47) done in 5.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-pao-3 (40 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-pao-3
+ He_ref.inp -2.889334869153457 OK ( 0.58 sec)
+ He_pao_initguess_exp.inp -2.888972913350901 OK ( 0.28 sec)
+ He_pao_initguess_fock.inp -2.888972913350901 OK ( 0.29 sec)
+ He_pao_initguess_rotinv.inp -2.888972913350901 OK ( 0.23 sec)
+ He_pao_initguess_gth.inp -2.888972913350901 OK ( 0.27 sec)
+ He_pao_initguess_equi.inp -2.888972913384499 OK ( 0.28 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-pao-3 (40 of 47) done in 5.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/optimize_input/regtest-1 (41 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/optimize_input/regtest-1
+ argon-ref.inp - OK ( 0.10 sec)
+ driver.inp 0.1072347063760515E+03 OK ( 0.27 sec)
+ driver-restart.inp 0.1076965059321591E+03 OK ( 0.41 sec)
+ driver-stride.inp 0.1072343388958498E+03 OK ( 0.23 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/optimize_input/regtest-1 (41 of 47) done in 4.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/FE/regtest-2 (42 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/FE/regtest-2
+ Solv_alch_chng.inp -0.732003926645E+01 OK ( 3.51 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/FE/regtest-2 (42 of 47) done in 5.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-linearscaling (43 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-linearscaling
+ test-shrt.inp - OK ( 0.32 sec)
+ w3-filter.inp -51.14051793253211 OK ( 0.53 sec)
+ w3-filter-2.inp -78.30555080313511 OK ( 0.13 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-linearscaling (43 of 47) done in 4.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/SE/regtest-3-1 (44 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/SE/regtest-3-1
+ H2O-MNDO-2.inp -351.42145109555833 OK ( 0.15 sec)
+ H-0.inp -0.319258384771667 OK ( 0.03 sec)
+ H2-0.inp -0.993280881213762 OK ( 0.14 sec)
+ H2.inp -0.037305167769230 OK ( 0.06 sec)
+ H2O-MNDO.inp -12.913048351744974 OK ( 0.50 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/SE/regtest-3-1 (44 of 47) done in 4.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/QS/regtest-lrigpw (45 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/QS/regtest-lrigpw
+ C11H24-qmmm-gauss-0-lrigpw.inp -28.00745026097767 OK ( 0.65 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QMMM/QS/regtest-lrigpw (45 of 47) done in 2.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-fftw (46 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-fftw
+ H2-big-1.inp -28.149134408985866 OK ( 0.54 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-fftw (46 of 47) done in 2.00 sec
+Starting regression tests in /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-elpa (47 of 47)
+>>> /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-elpa
+ H2O-6.inp -17.14603641519600 OK ( 0.27 sec)
+<<< /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/tests/QS/regtest-elpa (47 of 47) done in 2.00 sec
--------------------------------------------------------------------------
--------------------------------------------------------------------------
- regtesting location summary file: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/summary.txt
- regtesting location error_summary file: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/error_summary
- regtesting location memory_summary file: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11/memory_summary
- regtesting location output dir: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-03_07-46-11
+ regtesting location summary file: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/summary.txt
+ regtesting location error_summary file: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/error_summary
+ regtesting location memory_summary file: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08/memory_summary
+ regtesting location output dir: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-01_04-03-08
regtesting location last dir: /build/reproducible-path/cp2k-2024.2/tools/regtesting/../..//LAST-Linux-x86_64-gfortran-psmp
--------------------------------- Timings --------------------------------
@@ -67881,13 +67917,13 @@
Total number of tests 404
GREPME 0 0 404 0 404 X
-Summary: correct: 404 / 404; 13min
+Summary: correct: 404 / 404; 11min
Status: OK
--------------------------------------------------------------------------
-Regtest took 784.00 seconds.
+Regtest took 654.00 seconds.
--------------------------------------------------------------------------
-Sun May 3 07:59:14 -12 2026
+Tue Apr 1 04:14:01 +14 2025
*************************** testing ended ********************************
make[1]: Leaving directory '/build/reproducible-path/cp2k-2024.2'
create-stamp debian/debhelper-build-stamp
@@ -67924,8 +67960,8 @@
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-data' in '../cp2k-data_2024.2-1_all.deb'.
dpkg-deb: building package 'cp2k-dbgsym' in '../cp2k-dbgsym_2024.2-1_amd64.deb'.
+dpkg-deb: building package 'cp2k-data' in '../cp2k-data_2024.2-1_all.deb'.
dpkg-deb: building package 'cp2k' in '../cp2k_2024.2-1_amd64.deb'.
dpkg-genbuildinfo --build=binary -O../cp2k_2024.2-1_amd64.buildinfo
dpkg-genchanges --build=binary -O../cp2k_2024.2-1_amd64.changes
@@ -67934,12 +67970,14 @@
dpkg-buildpackage: info: binary-only upload (no source included)
dpkg-genchanges: info: including full source code in upload
I: copying local configuration
+I: user script /srv/workspace/pbuilder/126204/tmp/hooks/B01_cleanup starting
+I: user script /srv/workspace/pbuilder/126204/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/3638886 and its subdirectories
-I: Current time: Sun May 3 08:01:05 -12 2026
-I: pbuilder-time-stamp: 1777838465
+I: removing directory /srv/workspace/pbuilder/126204 and its subdirectories
+I: Current time: Tue Apr 1 04:15:53 +14 2025
+I: pbuilder-time-stamp: 1743430553