Diff of the two buildlogs: -- --- b1/build.log 2025-08-23 12:34:03.149239766 +0000 +++ b2/build.log 2025-08-23 13:36:12.365715261 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sat Aug 23 00:08:09 -12 2025 -I: pbuilder-time-stamp: 1755950889 +I: Current time: Sat Sep 26 08:57:08 +14 2026 +I: pbuilder-time-stamp: 1790362628 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/forky-reproducible-base.tgz] I: copying local configuration @@ -27,53 +27,85 @@ dpkg-source: info: applying remove_youtube_links_from_docs.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/3016797/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/2643715/tmp/hooks/D01_modify_environment starting +debug: Running on codethink03-arm64. +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 Sep 25 18:57 /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/2643715/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/2643715/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='arm64' - 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]="aarch64-unknown-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=arm64 + DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' - DISTRIBUTION='forky' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=forky + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - INVOCATION_ID='8b0713b333d94f399d53b138d3cc6d46' - 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='3016797' - PS1='# ' - PS2='> ' + INVOCATION_ID=aad8955f12054a78ae6991add76361ba + LANG=C + LANGUAGE=nl_BE:nl + LC_ALL=C + MACHTYPE=aarch64-unknown-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=2643715 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.n2L5o0XR/pbuilderrc_EGID --distribution forky --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/forky-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.n2L5o0XR/b1 --logfile b1/build.log cp2k_2025.1-1.1.dsc' - SUDO_GID='109' - SUDO_HOME='/var/lib/jenkins' - SUDO_UID='104' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://192.168.101.4:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.n2L5o0XR/pbuilderrc_0pVG --distribution forky --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/forky-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.n2L5o0XR/b2 --logfile b2/build.log cp2k_2025.1-1.1.dsc' + SUDO_GID=109 + SUDO_HOME=/var/lib/jenkins + SUDO_UID=104 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://192.168.101.4:3128 I: uname -a - Linux codethink04-arm64 6.12.41+deb13-cloud-arm64 #1 SMP Debian 6.12.41-1 (2025-08-12) aarch64 GNU/Linux + Linux i-capture-the-hostname 6.12.41+deb13-cloud-arm64 #1 SMP Debian 6.12.41-1 (2025-08-12) aarch64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Aug 10 12:30 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/3016797/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Aug 10 2025 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/2643715/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -86,7 +118,7 @@ Depends: bc, bison, debhelper (>= 10), default-jre-headless, flex, python3, python3-lxml, python3-myst-parser, python3-sphinxcontrib-mermaid, python3-sphinx-reredirects, python3-sphinx-rtd-theme, gfortran, libblas-dev, libdbcsr-dev (>= 2.6.0), libelpa-dev (>= 2022.11.001-1), libfftw3-dev, libint2-dev (>= 2.6.0-11), liblapack-dev, libsaxonb-java, libscalapack-mpi-dev (>= 2), libsymspg-dev, libxc-dev (>= 5.1.0), mpi-default-dev, pkg-config dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. -(Reading database ... 20003 files and directories currently installed.) +(Reading database ... 19969 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: @@ -364,10 +396,10 @@ Get: 207 http://deb.debian.org/debian forky/main arm64 python3-sphinxcontrib.jquery all 4.1-5 [7348 B] Get: 208 http://deb.debian.org/debian forky/main arm64 python3-sphinx-rtd-theme all 3.0.2+dfsg-3 [29.7 kB] Get: 209 http://deb.debian.org/debian forky/main arm64 python3-sphinxcontrib-mermaid all 1.0.0-1 [4816 kB] -Fetched 229 MB in 2s (127 MB/s) +Fetched 229 MB in 1s (269 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 ... 20003 files and directories currently installed.) +(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 ... 19969 files and directories currently installed.) Preparing to unpack .../0-m4_1.4.19-8_arm64.deb ... Unpacking m4 (1.4.19-8) ... Selecting previously unselected package flex. @@ -389,7 +421,7 @@ Setting up libexpat1:arm64 (2.7.1-2) ... Setting up python3.13-minimal (3.13.6-1) ... Selecting previously unselected package python3-minimal. -(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 ... 20546 files and directories currently installed.) +(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 ... 20512 files and directories currently installed.) Preparing to unpack .../0-python3-minimal_3.13.5-1_arm64.deb ... Unpacking python3-minimal (3.13.5-1) ... Selecting previously unselected package media-types. @@ -425,7 +457,7 @@ Unpacking libpython3-stdlib:arm64 (3.13.5-1) ... Setting up python3-minimal (3.13.5-1) ... Selecting previously unselected package python3. -(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 ... 21561 files and directories currently installed.) +(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 ... 21527 files and directories currently installed.) Preparing to unpack .../000-python3_3.13.5-1_arm64.deb ... Unpacking python3 (3.13.5-1) ... Selecting previously unselected package sensible-utils. @@ -1041,8 +1073,8 @@ Setting up tzdata (2025b-5) ... Current default time zone: 'Etc/UTC' -Local time is now: Sat Aug 23 12:08:47 UTC 2025. -Universal Time is now: Sat Aug 23 12:08:47 UTC 2025. +Local time is now: Fri Sep 25 18:57:58 UTC 2026. +Universal Time is now: Fri Sep 25 18:57:58 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up libdbcsr-dev (2.8.0-3) ... @@ -1408,7 +1440,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/cp2k-2025.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../cp2k_2025.1-1.1_source.changes +I: user script /srv/workspace/pbuilder/2643715/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for forky +I: user script /srv/workspace/pbuilder/2643715/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/cp2k-2025.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../cp2k_2025.1-1.1_source.changes dpkg-buildpackage: info: source package cp2k dpkg-buildpackage: info: source version 2025.1-1.1 dpkg-buildpackage: info: source distribution unstable @@ -1505,22 +1541,22 @@ mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/base/machine_cpuid.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_miniapp.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_miniapp.c +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/kinds.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/base/' kinds.F90 /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_shard.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_shard.c +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/kahan_sum.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' kahan_sum.F90 /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_multiply_opencl.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_multiply_opencl.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_multiply_gpu.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_multiply_gpu.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_multiply_cpu.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_multiply_cpu.c -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:06 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/kinds.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/base/' kinds.F90 /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_multiply_comm.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_multiply_comm.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_multiply.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_multiply.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_mpi.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_mpi.c -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:06 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/kahan_sum.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' kahan_sum.F90 /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_mempool.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_mempool.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_matrix.o' due to: target does not exist @@ -1545,14 +1581,14 @@ mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_tensor_local.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_prepare_pab.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_prepare_pab.c +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_kinds.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fft_kinds.F90 /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_non_orthorombic_corrections.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_non_orthorombic_corrections.c -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:06 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_kinds.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fft_kinds.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:06 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_plan.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fft_plan.F90 /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_integrate.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_integrate.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_context.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_context.c +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_plan.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fft_plan.F90 /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_collocation_integration.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_collocation_integration.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_collocate.o' due to: target does not exist @@ -1601,34 +1637,35 @@ cmp: /build/reproducible-path/cp2k-2025.1/obj/git-ref: No such file or directory /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constants_operator.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_int/constants_operator.F constants_operator.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dumpdcd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' dumpdcd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dumpdcd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' dumpdcd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_input_constants.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_input_constants.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'trexio.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/trexio.F trexio.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_input_constants.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_input_constants.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pilaenv_hack.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pilaenv_hack.F pilaenv_hack.F90 /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'sockets.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/sockets.c +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/constants_operator.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' constants_operator.F90 /build/reproducible-path/cp2k-2025.1/Makefile:534: update target 'torch_c_api.o' due to: target does not exist g++ -c -g -O2 -ffile-prefix-map=/build/reproducible-path/cp2k-2025.1=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard /build/reproducible-path/cp2k-2025.1/src/torch_c_api.cpp -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/constants_operator.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' constants_operator.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"trexio.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' trexio.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xyz2dcd.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/xyz2dcd.F xyz2dcd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"trexio.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' trexio.F90 /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'libcp2k_unittest.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/start/libcp2k_unittest.c -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pilaenv_hack.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pilaenv_hack.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pilaenv_hack.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pilaenv_hack.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kinds.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fft_kinds.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fft_plan.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/xyz2dcd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' xyz2dcd.F90 /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgriddgemm.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgriddgemm.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgriddgemm.a /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgriddgemm.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgriddgemm.a grid_dgemm_utils.o grid_dgemm_tensor_local.o grid_dgemm_prepare_pab.o grid_dgemm_non_orthorombic_corrections.o grid_dgemm_integrate.o grid_dgemm_context.o grid_dgemm_collocation_integration.o grid_dgemm_collocate.o grid_dgemm_coefficients.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgriddgemm.a /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a' due to: target does not exist @@ -1636,15 +1673,19 @@ Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a grid_sphere_cache.o grid_library.o grid_basis_set.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcommon.a -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a pw_gpu_internal.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgpu.a +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfpga.a opencl_utils.o fft_fpga.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/xyz2dcd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' xyz2dcd.F90 +/build/reproducible-path/cp2k-2025.1/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-2025.1/Makefile:513: update target 'input_constants.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_constants.F input_constants.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minimax_exp_k53.o' due to: target does not exist @@ -1655,23 +1696,17 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'machine.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/base/machine.F machine.F90 -/build/reproducible-path/cp2k-2025.1/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-2025.1/Makefile:513: update target 'mathconstants.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/mathconstants.F mathconstants.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_constants.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_constants.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'timings_base_type.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/timings_base_type.F timings_base_type.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_constants.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_constants.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathconstants.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' mathconstants.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'string_utilities.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/string_utilities.F string_utilities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/base/' machine.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_base_type.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' timings_base_type.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lapack.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/lapack.F lapack.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/base/' machine.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathconstants.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' mathconstants.F90 /build/reproducible-path/cp2k-2025.1/src/base/machine.F:393:25: 393 | SUBROUTINE abort() BIND(C, name="abort") @@ -1707,36 +1742,38 @@ 707 | FUNCTION rename(src, dest) BIND(C, name="rename") RESULT(errno) | 1 Warning: 'rename' declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k53.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_exp_k53.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_base_type.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' timings_base_type.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k53.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_exp_k53.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_constants.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mathconstants.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_utilities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' string_utilities.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'timings_base_type.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'physcon.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/physcon.F physcon.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_utilities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' string_utilities.F90 /build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lapack.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' lapack.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lapack.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' lapack.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'physcon.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/physcon.F physcon.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lapack.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/physcon.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' physcon.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/physcon.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' physcon.F90 /build/reproducible-path/cp2k-2025.1/src/common/string_utilities.F:3127:3: 3127 | PURE FUNCTION s2a_60(s1, s2, s3, s4, s5, s6, s7, s8, s9, s10, & | ^ Warning: 's2a_60' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'physcon.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'machine.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'base_hooks.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/base/base_hooks.F base_hooks.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'physcon.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/base_hooks.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/base/' base_hooks.F90 /build/reproducible-path/cp2k-2025.1/src/motion/xyz2dcd.F:58:70: 58 | REAL(KIND=dp), DIMENSION(:, :), ALLOCATABLE :: r, r_pbc, r0, s, s_pbc @@ -1763,26 +1800,25 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/base_hooks.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/base/' base_hooks.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'base_hooks.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a machine.o kinds.o base_hooks.o openmp_trace.o machine_cpuid.o -ar: /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_api.o' due to: target does not exist +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_api.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbx/cp_dbcsr_api.F cp_dbcsr_api.F90 -creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kbase.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_allocate_wrap.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_allocate_wrap.F dbt_allocate_wrap.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mltfftsg_tools.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/fft/mltfftsg_tools.F mltfftsg_tools.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'virial_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/virial_types.F virial_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbx/cp_dbcsr_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbx/' cp_dbcsr_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_allocate_wrap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_allocate_wrap.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/virial_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' virial_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/mltfftsg_tools.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' mltfftsg_tools.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbx/cp_dbcsr_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbx/' cp_dbcsr_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_allocate_wrap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_allocate_wrap.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/mltfftsg_tools.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' mltfftsg_tools.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/virial_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' virial_types.F90 /build/reproducible-path/cp2k-2025.1/src/motion/dumpdcd.F:844:83: 844 | WRITE (UNIT=output_unit) REAL(atomic_displacement(:), KIND=sp) @@ -1815,31 +1851,29 @@ note: 'r0.dim[1].stride' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'shell_potential_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/shell_potential_types.F shell_potential_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/shell_potential_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' shell_potential_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'damping_dipole_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/damping_dipole_types.F damping_dipole_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/shell_potential_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' shell_potential_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_parser_buffer_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_buffer_types.F cp_parser_buffer_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/damping_dipole_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' damping_dipole_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/damping_dipole_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' damping_dipole_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_buffer_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_buffer_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_parser_ilist_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_ilist_types.F cp_parser_ilist_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_parser_inpp_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_inpp_types.F cp_parser_inpp_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_buffer_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_buffer_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_ilist_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_inpp_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'orbital_pointers.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_pointers.F orbital_pointers.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_ilist_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'orbital_symbols.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_symbols.F orbital_symbols.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_pointers.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' orbital_pointers.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_pointers.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' orbital_pointers.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_inpp_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'shell_potential_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_field_kind_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/force_field_kind_types.F force_field_kind_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_symbols.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' orbital_symbols.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atprop_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/atprop_types.F atprop_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_symbols.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' orbital_symbols.F90 /build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_symbols.F:126:31: 126 | symbol(i:i) = l_sym(l) @@ -1850,33 +1884,32 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/force_field_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' force_field_kind_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atprop_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' atprop_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/force_field_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' force_field_kind_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atprop_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/atprop_types.F atprop_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'virial_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dlaf_utils_api.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_dlaf_utils_api.F cp_dlaf_utils_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atprop_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' atprop_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_dlaf_utils_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_dlaf_utils_api.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'sto_ng.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/sto_ng.F sto_ng.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_overlap_debug.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap_debug.F ai_overlap_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_dlaf_utils_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_dlaf_utils_api.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_overlap3_debug.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap3_debug.F ai_overlap3_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/sto_ng.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' sto_ng.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_onecenter.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_onecenter.F ai_onecenter.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap_debug.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/sto_ng.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' sto_ng.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap3_debug.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_contraction_sphi.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_contraction_sphi.F ai_contraction_sphi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_onecenter.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_onecenter.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_contraction.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_contraction.F ai_contraction.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap3_debug.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_types.F ps_wavelet_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_onecenter.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_onecenter.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction_sphi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_contraction_sphi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction_sphi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_contraction_sphi.F90 /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_onecenter.F:799:22: 799 | SUBROUTINE sto_conf(gmat, rc, k, na, pa, nb, pb) @@ -1922,36 +1955,37 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_contraction.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_types.F ps_wavelet_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_fft3d.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_fft3d.F ps_wavelet_fft3d.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_contraction.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lazy.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/lazy.F lazy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_fft3d.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_fft3d.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'graph_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph_utils.F graph_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_fft3d.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_fft3d.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/lazy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' lazy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/' graph_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/lazy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' lazy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/' graph_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_energy_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_energy_types.F fist_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_energy_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_energy_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'exclusion_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/exclusion_types.F exclusion_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_energy_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_energy_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'splines_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/splines_types.F splines_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exclusion_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' exclusion_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' splines_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'deepmd_wrapper.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/deepmd_wrapper.F deepmd_wrapper.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exclusion_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' exclusion_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"deepmd_wrapper.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' deepmd_wrapper.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'torch_api.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/torch_api.F torch_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' splines_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"deepmd_wrapper.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' deepmd_wrapper.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_gaussian_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_types.F qmmm_gaussian_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minimax_exp_k15.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minimax/minimax_exp_k15.F minimax_exp_k15.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"torch_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' torch_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gaussian_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"torch_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' torch_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gaussian_types.F90 /build/reproducible-path/cp2k-2025.1/src/torch_api.F:479:14: 479 | CPASSERT(ABS(temp) < HUGE(dest)) @@ -1962,15 +1996,18 @@ 477 | INTEGER(kind=int_8) :: temp | ^ note: 'temp' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minimax_exp_k15.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minimax/minimax_exp_k15.F minimax_exp_k15.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_util.F eri_mme_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k15.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_exp_k15.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb_types.F qs_dftb_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_expns3_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_expns3_types.F semi_empirical_expns3_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k15.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_exp_k15.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_expns3_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_mpole_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_mpole_types.F semi_empirical_mpole_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'taper_types.o' due to: target does not exist @@ -1979,104 +2016,104 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_arrays.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_arrays.F semi_empirical_int_arrays.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_expns3_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_mpole_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_arrays.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_arrays.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"taper_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' taper_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_mpole_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"taper_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' taper_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_energy_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_energy_types.F mixed_energy_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_energy_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_energy_types.F qs_energy_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_energy_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_arrays.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_arrays.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_energy_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_energy_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho_atom_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho_atom_types.F qs_rho_atom_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'block_p_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/block_p_types.F block_p_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho_atom_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_helpers.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_helpers.F hfx_helpers.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho_atom_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"block_p_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' block_p_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_helpers.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_helpers.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"block_p_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' block_p_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_ff_fist.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_ff_fist.F qmmm_ff_fist.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_helpers.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_helpers.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_ff_fist.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_ff_fist.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_rho_cflags_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_rho_cflags_types.F xc_rho_cflags_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'integration_grid_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/integration_grid_types.F integration_grid_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_cflags_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_rho_cflags_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_charges_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_charges_types.F qs_charges_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_ff_fist.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_ff_fist.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_cflags_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_rho_cflags_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_trial_fns_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_trial_fns_types.F qs_fb_trial_fns_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"integration_grid_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' integration_grid_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charges_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_charges_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"integration_grid_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' integration_grid_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_trial_fns_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_trial_fns_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_compression_core_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfxbase/hfx_compression_core_methods.F hfx_compression_core_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_trial_fns_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_trial_fns_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'wannier_states_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/wannier_states_types.F wannier_states_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charges_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_charges_types.F90 /build/reproducible-path/cp2k-2025.1/src/qs_fb_trial_fns_types.F:162:31: 162 | SUBROUTINE fb_trial_fns_init(trial_fns) | ^ Warning: 'fb_trial_fns_init' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'wannier_states_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/wannier_states_types.F wannier_states_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'sockets_interface.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/sockets_interface.F sockets_interface.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_ener_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_ener_types.F md_ener_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' wannier_states_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'simpar_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/simpar_types.F simpar_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' wannier_states_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sockets_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' sockets_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sockets_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' sockets_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_ener_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_ener_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mm_mapping_library.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mm_mapping_library.F mm_mapping_library.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_ener_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_ener_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"simpar_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' simpar_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"simpar_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' simpar_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_compression_core_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/hfxbase/' hfx_compression_core_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'spglib_f08.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/spglib_f08.F spglib_f08.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_mapping_library.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mm_mapping_library.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'beta_gamma_psi.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/beta_gamma_psi.F beta_gamma_psi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_mapping_library.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mm_mapping_library.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_functionals_utilities.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_functionals_utilities.F xc_functionals_utilities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spglib_f08.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' spglib_f08.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spglib_f08.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' spglib_f08.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_contraction.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'arnoldi_geev.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_geev.F arnoldi_geev.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_compression_core_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/hfxbase/' hfx_compression_core_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_functionals_utilities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_functionals_utilities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"beta_gamma_psi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' beta_gamma_psi.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_hash_table_functions.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_hash_table_functions.F qs_hash_table_functions.F90 -/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"beta_gamma_psi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' beta_gamma_psi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_functionals_utilities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_functionals_utilities.F90 /build/reproducible-path/cp2k-2025.1/src/beta_gamma_psi.F:1092:20: 1092 | SUBROUTINE bratio(a, b, x, y, w, w1, ierr) | ^ Warning: 'bratio' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_geev.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_geev.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_geev.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_geev.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_hash_table_functions.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_hash_table_functions.F qs_hash_table_functions.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_overlap3_debug.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eeq_data.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eeq_data.F eeq_data.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_hash_table_functions.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_hash_table_functions.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_hash_table_functions.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_hash_table_functions.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_contraction_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfxbase/hfx_contraction_methods.F hfx_contraction_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eeq_data.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eeq_data.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_contract_block.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfxbase/hfx_contract_block.F hfx_contract_block.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eeq_data.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eeq_data.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_alloc_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_alloc_types.F negf_alloc_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'uff_vdw_radii_table.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/uff_vdw_radii_table.F uff_vdw_radii_table.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_alloc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_alloc_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_buffer_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_buffer_types.F qs_fb_buffer_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contract_block.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/hfxbase/' hfx_contract_block.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_buffer_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_buffer_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"uff_vdw_radii_table.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' uff_vdw_radii_table.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"uff_vdw_radii_table.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' uff_vdw_radii_table.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_buffer_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_buffer_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'wannier90.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/wannier90.F wannier90.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_alloc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_alloc_types.F90 /build/reproducible-path/cp2k-2025.1/src/qs_fb_buffer_types.F:202:35: 202 | SUBROUTINE fb_buffer_i_associate(a, b) @@ -2087,12 +2124,12 @@ 518 | SUBROUTINE fb_buffer_d_associate(a, b) | ^ Warning: 'fb_buffer_d_associate' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'wannier90.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/wannier90.F wannier90.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contract_block.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/hfxbase/' hfx_contract_block.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier90.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' wannier90.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minimax_exp_gw.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minimax/minimax_exp_gw.F minimax_exp_gw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier90.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' wannier90.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_gw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_exp_gw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_gw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_exp_gw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contraction_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/hfxbase/' hfx_contraction_methods.F90 /build/reproducible-path/cp2k-2025.1/src/minimax/minimax_exp_gw.F:79:10: 79 | IF (E_ratio > 1.5_dp) THEN @@ -2103,74 +2140,81 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contraction_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/hfxbase/' hfx_contraction_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minimax_rpa.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minimax/minimax_rpa.F minimax_rpa.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hdf5_wrapper.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hdf5_wrapper.F hdf5_wrapper.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hdf5_wrapper.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hdf5_wrapper.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hdf5_wrapper.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hdf5_wrapper.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_gaussian_data.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_data.F qmmm_gaussian_data.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_rpa.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_rpa.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_data.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gaussian_data.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mdctrl_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mdctrl_types.F mdctrl_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_data.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gaussian_data.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mdctrl_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mdctrl_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mdctrl_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mdctrl_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_integr_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_integr_utils.F negf_integr_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_rpa.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_rpa.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mao_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mao_types.F mao_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_integr_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_integr_utils.F90 /build/reproducible-path/cp2k-2025.1/src/negf_integr_utils.F:181:3: 181 | PURE FUNCTION get_axis_rotation_angle(a, b) RESULT(phi) | ^ Warning: 'get_axis_rotation_angle' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'farming_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/farming_types.F farming_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mao_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mao_types.F mao_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_types.F90 /build/reproducible-path/cp2k-2025.1/src/mao_types.F:38:29: 38 | SUBROUTINE create_mao_type(mao_env) | ^ Warning: 'create_mao_type' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'farming_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/farming_types.F farming_types.F90 +/build/reproducible-path/cp2k-2025.1/src/hfxbase/hfx_compression_core_methods.F:67:23: + + 67 | SUBROUTINE ints2ints(Ndata, packed_data, full_data) + | ^ +Warning: 'ints2ints' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_stati.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_stati.F tmc_stati.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' farming_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' farming_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_stati.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_stati.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_tree_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_types.F tmc_tree_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_stati.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_stati.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_move_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_move_types.F tmc_move_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_utils.F tmc_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_move_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_move_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_utils.F90 +/build/reproducible-path/cp2k-2025.1/src/minimax/minimax_rpa.F:10163:10: + +10163 | IF (E_ratio > 1.5_dp) THEN + | ^ +Warning: 'e_ratio' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/minimax/minimax_rpa.F:10129:67: + +10129 | REAL(KIND=dp) :: E_ratio + | ^ +note: 'e_ratio' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'memory_utilities.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/memory_utilities.F memory_utilities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' memory_utilities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' memory_utilities.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'whittaker.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/whittaker.F whittaker.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_array_sort.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_array_sort.F cp_array_sort.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/whittaker.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' whittaker.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/whittaker.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' whittaker.F90 /build/reproducible-path/cp2k-2025.1/src/common/whittaker.F:111:26: 111 | SUBROUTINE whittaker_c0(wc, r, expa, erfa, alpha, l, n) | ^ Warning: 'whittaker_c0' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_sort.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_array_sort.F90 -/build/reproducible-path/cp2k-2025.1/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] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_sort.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_array_sort.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'callgraph.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/callgraph.F callgraph.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list_callstackentry.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list_callstackentry.F list_callstackentry.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/callgraph.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' callgraph.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/callgraph.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' callgraph.F90 /build/reproducible-path/cp2k-2025.1/src/common/callgraph.F:17:6: 17 | #:call hash_map(prefix='callgraph', & @@ -2186,21 +2230,8 @@ 17 | #:call hash_map(prefix='callgraph', & | ^ Warning: 'callgraph_update' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_callstackentry.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list_callstackentry.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list_routinestat.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list_routinestat.F list_routinestat.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'routine_map.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/routine_map.F routine_map.F90 -/build/reproducible-path/cp2k-2025.1/src/minimax/minimax_rpa.F:10163:10: - -10163 | IF (E_ratio > 1.5_dp) THEN - | ^ -Warning: 'e_ratio' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/minimax/minimax_rpa.F:10129:67: - -10129 | REAL(KIND=dp) :: E_ratio - | ^ -note: 'e_ratio' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list_callstackentry.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list_callstackentry.F list_callstackentry.F90 /build/reproducible-path/cp2k-2025.1/src/common/callgraph.F:17:32: 17 | #:call hash_map(prefix='callgraph', & @@ -2211,12 +2242,13 @@ 17 | #:call hash_map(prefix='callgraph', & | ^ note: 'value' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_files.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_files.F cp_files.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinestat.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list_routinestat.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list_routinereport.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list_routinereport.F list_routinereport.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/routine_map.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' routine_map.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list_routinestat.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list_routinestat.F list_routinestat.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_callstackentry.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list_callstackentry.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'routine_map.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/routine_map.F routine_map.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinestat.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list_routinestat.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/routine_map.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' routine_map.F90 /build/reproducible-path/cp2k-2025.1/src/common/routine_map.F:16:6: 16 | #:call hash_map(prefix='routine_map', & @@ -2232,10 +2264,10 @@ 16 | #:call hash_map(prefix='routine_map', & | ^ Warning: 'routine_map_update' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_files.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_files.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinereport.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list_routinereport.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp_perf_env.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mpiwrap/mp_perf_env.F mp_perf_env.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_files.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_files.F cp_files.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list_routinereport.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list_routinereport.F list_routinereport.F90 /build/reproducible-path/cp2k-2025.1/src/common/routine_map.F:16:34: 16 | #:call hash_map(prefix='routine_map', & @@ -2246,48 +2278,38 @@ 16 | #:call hash_map(prefix='routine_map', & | ^ note: 'value' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp_perf_env.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mpiwrap/mp_perf_env.F mp_perf_env.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_files.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_files.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'offload_api.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/offload/offload_api.F offload_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/mp_perf_env.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/mpiwrap/' mp_perf_env.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"offload/offload_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/offload/' offload_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinereport.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list_routinereport.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/mp_perf_env.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/mpiwrap/' mp_perf_env.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"offload/offload_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/offload/' offload_api.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'structure_factor_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/structure_factor_types.F structure_factor_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'string_table.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/string_table.F string_table.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'splines.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/splines.F splines.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factor_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' structure_factor_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'spherical_harmonics.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/spherical_harmonics.F spherical_harmonics.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'string_utilities.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factor_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' structure_factor_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_table.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' string_table.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'print_messages.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/print_messages.F print_messages.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/spherical_harmonics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' spherical_harmonics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/splines.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' splines.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'powell.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/powell.F powell.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'periodic_table.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/periodic_table.F periodic_table.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_table.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' string_table.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/splines.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' splines.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/spherical_harmonics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' spherical_harmonics.F90 /build/reproducible-path/cp2k-2025.1/src/common/splines.F:261:27: 261 | SUBROUTINE spline3valder(x, xi, c, val, der) | ^ Warning: 'spline3valder' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/print_messages.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' print_messages.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'parallel_rng_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/parallel_rng_types.F parallel_rng_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/powell.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' powell.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'print_messages.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/print_messages.F print_messages.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'powell.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/powell.F powell.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/print_messages.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' print_messages.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mathlib.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/mathlib.F mathlib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/periodic_table.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' periodic_table.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'linear_systems.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/linear_systems.F linear_systems.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' parallel_rng_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lebedev.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/lebedev.F lebedev.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathlib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' mathlib.F90 /build/reproducible-path/cp2k-2025.1/src/common/spherical_harmonics.F:379:20: 379 | END FUNCTION sfac @@ -2298,19 +2320,23 @@ 360 | FUNCTION sfac(n) | ^ note: '__result_sfac' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/linear_systems.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' linear_systems.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'linear_systems.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/linear_systems.F linear_systems.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lebedev.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/lebedev.F lebedev.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathlib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' mathlib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/powell.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' powell.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/linear_systems.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' linear_systems.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gamma.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/gamma.F gamma.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lebedev.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' lebedev.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/gamma.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' gamma.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fparser.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/fparser.F fparser.F90 -/build/reproducible-path/cp2k-2025.1/src/common/gamma.F:281:22: - - 281 | SUBROUTINE fgamma_1(nmax, t, f) - | ^ -Warning: 'fgamma_1' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/fparser.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' fparser.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lebedev.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' lebedev.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eigenvalueproblems.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/eigenvalueproblems.F eigenvalueproblems.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/gamma.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' gamma.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_iter_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_iter_types.F cp_iter_types.F90 /build/reproducible-path/cp2k-2025.1/src/common/spherical_harmonics.F:1465:25: 1465 | END FUNCTION dlegendre @@ -2321,16 +2347,13 @@ 1336 | FUNCTION dlegendre(x, l, m) RESULT(dplm) | ^ note: 'dplm' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eigenvalueproblems.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/eigenvalueproblems.F eigenvalueproblems.F90 -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:350:3: +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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/eigenvalueproblems.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' eigenvalueproblems.F90 +/build/reproducible-path/cp2k-2025.1/src/common/gamma.F:281:22: - 350 | FUNCTION EvalErrMsg() RESULT(msg) - | ^ -Warning: 'evalerrmsg' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_iter_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_iter_types.F cp_iter_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/eigenvalueproblems.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' eigenvalueproblems.F90 + 281 | SUBROUTINE fgamma_1(nmax, t, f) + | ^ +Warning: 'fgamma_1' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/fparser.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' fparser.F90 /build/reproducible-path/cp2k-2025.1/src/common/eigenvalueproblems.F:146:25: 146 | SUBROUTINE cp2k_sgesvd(matrix, svalues, mrow, ncol, uvec, vtvec) @@ -2341,90 +2364,18 @@ 180 | SUBROUTINE cp2k_cgesvd(matrix, svalues, mrow, ncol, uvec, vtvec) | ^ Warning: 'cp2k_cgesvd' 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_iter_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_iter_types.F90 -/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1829:23: - - 1829 | qbeg = sg + cf - | ^ -Warning: 'sg' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1669:27: - - 1669 | reduc, sg, sgk, shs, ss, sth, temp, tempa, tempb - | ^ -note: 'sg' was declared here -/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1828:30: - - 1828 | cf = half*(shs - dhd) - | ^ -Warning: 'shs' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1669:37: - - 1669 | reduc, sg, sgk, shs, ss, sth, temp, tempa, tempb - | ^ -note: 'shs' was declared here -/build/reproducible-path/cp2k-2025.1/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-2025.1/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-2025.1/src/common/fparser.F:498:38: - - 498 | IF (PRESENT(ibegin)) ibegin = ib - | ^ -Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:473:62: - - 473 | INTEGER :: ib, in, j, lstr - | ^ -note: 'ib' was declared here -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:499:36: - - 499 | IF (PRESENT(inext)) inext = in - | ^ -Warning: 'in' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:473:66: - - 473 | INTEGER :: ib, in, j, lstr - | ^ -note: 'in' was declared here -/build/reproducible-path/cp2k-2025.1/src/common/lebedev.F:146:42: - - 146 | END FUNCTION get_number_of_lebedev_grid - | ^ -Warning: 'number_of_lebedev_grid' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/lebedev.F:113:75: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_iter_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_iter_types.F90 +/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:350:3: - 113 | FUNCTION get_number_of_lebedev_grid(l, n) RESULT(number_of_lebedev_grid) - | ^ -note: 'number_of_lebedev_grid' was declared here + 350 | FUNCTION EvalErrMsg() RESULT(msg) + | ^ +Warning: 'evalerrmsg' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'd3_poly.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F d3_poly.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_result_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_result_types.F cp_result_types.F90 -/build/reproducible-path/cp2k-2025.1/src/common/mathlib.F:1403:3: - - 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/d3_poly.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' d3_poly.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_min_heap.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_min_heap.F cp_min_heap.F90 -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:1022:23: - - 1022 | vals(ipar) = xval - | ^ -Warning: 'xval' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:988:68: - - 988 | hh, xval - | ^ -note: 'xval' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_result_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/d3_poly.F\"" -I'/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_result_types.F90 /build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:235:3: 235 | PURE FUNCTION mono_index1(i) RESULT(res) @@ -2525,7 +2476,65 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_min_heap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_min_heap.F90 +/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1829:23: + + 1829 | qbeg = sg + cf + | ^ +Warning: 'sg' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1669:27: + + 1669 | reduc, sg, sgk, shs, ss, sth, temp, tempa, tempb + | ^ +note: 'sg' was declared here +/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1828:30: + + 1828 | cf = half*(shs - dhd) + | ^ +Warning: 'shs' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1669:37: + + 1669 | reduc, sg, sgk, shs, ss, sth, temp, tempa, tempb + | ^ +note: 'shs' was declared here +/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:498:38: + + 498 | IF (PRESENT(ibegin)) ibegin = ib + | ^ +Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:473:62: + + 473 | INTEGER :: ib, in, j, lstr + | ^ +note: 'ib' was declared here +/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:499:36: + + 499 | IF (PRESENT(inext)) inext = in + | ^ +Warning: 'in' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:473:66: + + 473 | INTEGER :: ib, in, j, lstr + | ^ +note: 'in' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_min_heap.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_min_heap.F cp_min_heap.F90 +/build/reproducible-path/cp2k-2025.1/src/common/lebedev.F:146:42: + + 146 | END FUNCTION get_number_of_lebedev_grid + | ^ +Warning: 'number_of_lebedev_grid' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/lebedev.F:113:75: + + 113 | FUNCTION get_number_of_lebedev_grid(l, n) RESULT(number_of_lebedev_grid) + | ^ +note: 'number_of_lebedev_grid' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'print_messages.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lebedev.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_min_heap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_min_heap.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bessel_lib.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/bessel_lib.F bessel_lib.F90 /build/reproducible-path/cp2k-2025.1/src/common/cp_min_heap.F:73:3: 73 | ELEMENTAL FUNCTION get_right_child(n) RESULT(child) @@ -2536,12 +2545,6 @@ 100 | ELEMENTAL FUNCTION get_value_by_key(heap, key) RESULT(value) | ^ Warning: 'get_value_by_key' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'print_messages.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lebedev.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bessel_lib.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/bessel_lib.F bessel_lib.F90 /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2koffload.a @@ -2553,25 +2556,25 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbx.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbx.a" -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mltfftsg_tools.mod' due to: target does not exist -true Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbx.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbx.a cp_dbcsr_api.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbx.a +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mltfftsg_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bessel_lib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' bessel_lib.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kahan_sum.mod' due to: kahan_sum.o true /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a" -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bessel_lib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' bessel_lib.F90 ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a grid_cpu_task_list.o grid_cpu_prepare_pab.o grid_cpu_integrate.o grid_cpu_collocate.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a grid_ref_task_list.o grid_ref_prepare_pab.o grid_ref_integrate.o grid_ref_collocate.o +ar: /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a" +creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'damping_dipole_types.mod' due to: target does not exist true +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a grid_ref_task_list.o grid_ref_prepare_pab.o grid_ref_integrate.o grid_ref_collocate.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_buffer_types.mod' due to: target does not exist true @@ -2583,8 +2586,23 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_status_types.F cp_parser_status_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'orbital_pointers.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:1022:23: + + 1022 | vals(ipar) = xval + | ^ +Warning: 'xval' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/mathlib.F:1403:3: + + 1403 | ELEMENTAL IMPURE FUNCTION expint(n, x) + | ^ +Warning: '__result_expint' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'orbital_symbols.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:988:68: + + 988 | hh, xval + | ^ +note: 'xval' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_field_kind_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atprop_types.mod' due to: target does not exist @@ -2593,9 +2611,9 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gamma.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_status_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_status_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'sto_ng.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_status_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_status_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_verfc.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_verfc.F ai_verfc.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_os_rr.o' due to: target does not exist @@ -2606,29 +2624,30 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_overlap_aabb.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap_aabb.F ai_overlap_aabb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_verfc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_verfc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_os_rr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_os_rr.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_verfc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_verfc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_oneelectron.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_oneelectron.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_overlap3.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap3.F ai_overlap3.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_os_rr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_os_rr.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_oneelectron.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_oneelectron.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap3.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_aabb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap_aabb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_aabb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap_aabb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap3.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_derivatives.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_derivatives.F ai_derivatives.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_derivatives.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_derivatives.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_fermi_contact.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_fermi_contact.F ai_fermi_contact.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_fermi_contact.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_derivatives.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_derivatives.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_fermi_contact.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_eri_debug.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_eri_debug.F ai_eri_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:19 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_eri_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_eri_debug.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_angmom.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_angmom.F ai_angmom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_eri_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_eri_debug.F90 /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_eri_debug.F:56:21: 56 | SUBROUTINE init_os(ya, yb, yc, yd, rA, rB, rC, rD) | ^ Warning: 'init_os' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_angmom.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_angmom.F ai_angmom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_angmom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_angmom.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bessel_lib.mod' due to: target does not exist @@ -2643,17 +2662,44 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'exclusion_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_angmom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_angmom.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'splines_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'deepmd_wrapper.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'torch_api.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gaussian_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minimax_exp_k15.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minimax_exp_k53.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eri_mme_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_expns3_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_mpole_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'taper_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'splines.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_arrays.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_energy_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_energy_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho_atom_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap3.F:1040:81: 1040 | sabdc(na + i, nb + j, ndc + l, k) = sdc(i, j, l, k) | ^ Warning: 'sdc.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'torch_api.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'whittaker.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap3.F:135:68: @@ -2730,44 +2776,6 @@ 135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc | ^ note: 'sdc.offset' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gaussian_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minimax_exp_k15.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/common/mathlib.F:141:23: - - 141 | END FUNCTION pswitch - | ^ -Warning: 'fx' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/mathlib.F:98:46: - - 98 | FUNCTION pswitch(x, a, b, order) RESULT(fx) - | ^ -note: 'fx' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minimax_exp_k53.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eri_mme_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_expns3_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_mpole_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'taper_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'splines.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_arrays.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_energy_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_energy_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho_atom_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'whittaker.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'block_p_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_helpers.mod' due to: target does not exist @@ -2784,16 +2792,15 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mscfg_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mscfg_types.F mscfg_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hartree_local_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_wrapper.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' libint_wrapper.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_charges_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_trial_fns_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_wrapper.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' libint_wrapper.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hartree_local_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'transport_env_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/transport_env_types.F transport_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mscfg_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' transport_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mscfg_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'wannier_states_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'sockets_interface.mod' due to: target does not exist @@ -2804,10 +2811,9 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fparser.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' transport_env_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'simpar_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp2k_info.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp2k_info.F cp2k_info.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mm_mapping_library.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_min_heap.mod' due to: target does not exist @@ -2822,26 +2828,36 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_functionals_utilities.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp2k_info.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'd3_poly.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fermi_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fermi_utils.F fermi_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mol_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mol_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mol_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mol_force.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_geev.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_hash_table_functions.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'construct_shg.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_int/construct_shg.F construct_shg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fermi_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fermi_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 's_contract_shg.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_int/s_contract_shg.F s_contract_shg.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fermi_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fermi_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/construct_shg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' construct_shg.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/s_contract_shg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' s_contract_shg.F90 +/build/reproducible-path/cp2k-2025.1/src/common/mathlib.F:141:23: + + 141 | END FUNCTION pswitch + | ^ +Warning: 'fx' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/mathlib.F:98:46: + + 98 | FUNCTION pswitch(x, a, b, order) RESULT(fx) + | ^ +note: 'fx' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_contraction_sphi.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_overlap_aabb.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/construct_shg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' construct_shg.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eeq_data.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_alloc_types.mod' due to: target does not exist @@ -2858,7 +2874,6 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_hash_table_types.F qs_fb_hash_table_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'wannier90.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/s_contract_shg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' s_contract_shg.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minimax_exp_gw.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minimax_rpa.mod' due to: target does not exist @@ -2867,13 +2882,9 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gaussian_data.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_hash_table_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mdctrl_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_hash_table_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_integr_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'farming_types.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/qs_fb_hash_table_types.F:323:34: 323 | SUBROUTINE fb_hash_table_remove(hash_table, key) @@ -2884,6 +2895,10 @@ 359 | SUBROUTINE fb_hash_table_status(hash_table, nelements, nmax, prime) | ^ Warning: 'fb_hash_table_status' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_integr_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'farming_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_stati.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_tree_types.mod' due to: target does not exist @@ -2912,7 +2927,7 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'structure_factor_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'parallel_rng_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'string_utilities.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_iter_types.mod' due to: target does not exist true @@ -2928,9 +2943,11 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/fft/fftsg_lib.F fftsg_lib.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fftw3_lib.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/fft/fftw3_lib.F fftw3_lib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_index.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_index.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftw3_lib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fftw3_lib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftsg_lib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fftsg_lib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftsg_lib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fftsg_lib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_index.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_index.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftw3_lib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fftw3_lib.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_fpga.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_fpga.F pw_fpga.F90 /build/reproducible-path/cp2k-2025.1/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) @@ -2941,8 +2958,11 @@ 99 | SUBROUTINE dummy_routine_to_call_mark_used() | ^ Warning: 'dummy_routine_to_call_mark_used' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_fpga.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_fpga.F pw_fpga.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_status_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_fpga.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_fpga.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ao_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ao_util.F ao_util.F90 /build/reproducible-path/cp2k-2025.1/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) @@ -2958,14 +2978,13 @@ 1203 | scal_offset | ^ Warning: 'scal_offset' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_fpga.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_fpga.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_status_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ao_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ao_util.F ao_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ao_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ao_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'orbital_transformation_matrices.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_transformation_matrices.F orbital_transformation_matrices.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_coulomb.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb.F ai_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ao_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ao_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_transformation_matrices.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' orbital_transformation_matrices.F90 /build/reproducible-path/cp2k-2025.1/src/aobasis/ao_util.F:131:49: 131 | r = MAX(SQRT(0.5_dp*REAL(l, dp)/a), radius) @@ -2986,12 +3005,6 @@ 107 | REAL(KIND=dp) :: a, d, dr, eps, r, rd, t | ^ note: 't' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'periodic_table.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_coulomb.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb.F ai_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_transformation_matrices.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' orbital_transformation_matrices.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_coulomb.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_os_rr.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_oneelectron.mod' due to: target does not exist @@ -3014,10 +3027,10 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_kinetic.F ai_kinetic.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_elec_field.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_elec_field.F ai_elec_field.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operator_ra2m.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_operator_ra2m.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_scaling_function.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_scaling_function.F ps_wavelet_scaling_function.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operator_ra2m.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_operator_ra2m.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_kinetic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_kinetic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_kinetic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_kinetic.F90 /build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_transformation_matrices.F:458:83: 458 | v = 0.5_dp*SQRT(REAL(a1, KIND=dp)/REAL(a2, KIND=dp))*REAL(1 - 2*dm0, KIND=dp) @@ -3068,8 +3081,8 @@ 419 | FUNCTION u_func(l, ma, mb) 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_elec_field.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_elec_field.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_scaling_function.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_scaling_function.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_elec_field.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_elec_field.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_scaling_function.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_scaling_function.F90 /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_scaling_function.F:92:30: 92 | SUBROUTINE wavelet_function(itype, nd, a, x) @@ -3085,15 +3098,12 @@ 296 | SUBROUTINE ftest(m, ch, cg, cgt, cht) | ^ Warning: 'ftest' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'graph_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph_methods.F graph_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/' graph_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pair_potential_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pair_potential_types.F pair_potential_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_grid_atom.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_grid_atom.F qs_grid_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_grid_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_grid_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pair_potential_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:58:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pair_potential_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_grid_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_grid_atom.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'libint_wrapper.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hartree_local_types.mod' due to: target does not exist @@ -3104,8 +3114,10 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'transport_env_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp2k_info.mod' due to: target does not exist -true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp2k_info.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp2k_info.F cp2k_info.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"local_gemm_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' local_gemm_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp2k_info.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpsym.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpsym.F kpsym.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mol_force.mod' due to: target does not exist @@ -3114,16 +3126,15 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_kinetic.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"local_gemm_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' local_gemm_api.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_angmom.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpsym.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpsym.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_verfc.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'libgrpp_integrals.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/libgrpp_integrals.F libgrpp_integrals.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'construct_shg.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpsym.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpsym.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_operator_ra2m.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_overlap3.mod' due to: target does not exist @@ -3132,46 +3143,16 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_hash_table_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'csvr_system_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/csvr_system_utils.F csvr_system_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libgrpp_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' libgrpp_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' csvr_system_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libgrpp_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' libgrpp_integrals.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nequip_unittest.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nequip_unittest.F nequip_unittest.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'memory_utilities_unittest.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/memory_utilities_unittest.F memory_utilities_unittest.F90 -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph_methods.F:496:94: - - 496 | dx(:, irep) = dx(:, irep) + 0.5_dp*mep_input_data%kb*(xx0 - avg2)*(dxx - davg2) - | ^ -Warning: 'xx0' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph_methods.F:403:95: - - 403 | REAL(KIND=dp) :: avg1, avg2, diff, ene, norm_dx, xx0, yy0 - | ^ -note: 'xx0' was declared here -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph_methods.F:499:94: - - 499 | dx(:, irep) = dx(:, irep) + 0.5_dp*mep_input_data%kb*(yy0 - avg2)*(dyy - davg2) - | ^ -Warning: 'yy0' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph_methods.F:403:100: - - 403 | REAL(KIND=dp) :: avg1, avg2, diff, ene, norm_dx, xx0, yy0 - | ^ -note: 'yy0' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/util.F util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nequip_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nequip_unittest.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' memory_utilities_unittest.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'timings_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/timings_types.F timings_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'message_passing.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.F message_passing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' timings_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'structure_factors.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/structure_factors.F structure_factors.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nequip_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nequip_unittest.F90 /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb.F:1839:75: 1839 | fcz*v(1, 1, cocz, n + 1) @@ -3202,8 +3183,21 @@ 824 | REAL(KIND=dp), DIMENSION(3) :: rap, rbp, rcp, rcw, rpw | ^ note: 'rbp[1]' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:25 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/message_passing.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/mpiwrap/' message_passing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:25 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factors.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' structure_factors.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' memory_utilities_unittest.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' timings_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'message_passing.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.F message_passing.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'structure_factors.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/structure_factors.F structure_factors.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factors.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' structure_factors.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'periodic_table.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/periodic_table.F periodic_table.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/message_passing.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/mpiwrap/' message_passing.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/periodic_table.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' periodic_table.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'parallel_rng_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/parallel_rng_types.F parallel_rng_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' parallel_rng_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_index.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fftsg_lib.mod' due to: target does not exist @@ -3212,12 +3206,6 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_fpga.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ao_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'orbital_transformation_matrices.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_spin_orbit.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_spin_orbit.F ai_spin_orbit.F90 /build/reproducible-path/cp2k-2025.1/src/kpsym.F:1860:91: 1860 | origin(imissing2)*r(ionly, imissing2, ib(ir))) @@ -3228,24 +3216,43 @@ 1766 | INTEGER :: i, i1, ierror, igood(3), il, imissing2, & | ^ note: 'imissing2' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:25 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_spin_orbit.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ao_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'orbital_transformation_matrices.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_spin_orbit.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_spin_orbit.F ai_spin_orbit.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_overlap_ppl.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap_ppl.F ai_overlap_ppl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:25 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_ppl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap_ppl.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_spin_orbit.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_ppl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap_ppl.F90 +/build/reproducible-path/cp2k-2025.1/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-2025.1/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-2025.1/Makefile:513: update target 'ai_overlap.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap.F ai_overlap.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target '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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'structure_factors.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_grid_atom.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'powell.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'local_gemm_api.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:26 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'header.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/header.F header.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:26 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"header.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' header.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp2k_info.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'libgrpp_integrals.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap.F:1364:26: 1364 | SUBROUTINE overlap_aaab(la1_max, la1_min, npgfa1, rpgfa1, zeta1, & @@ -3261,23 +3268,34 @@ 1776 | SUBROUTINE overlap_abbb(la_max, la_min, npgfa, rpgfa, zeta, & | ^ Warning: 'overlap_abbb' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'libgrpp_integrals.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 's_contract_shg.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_spin_orbit.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_matrix_data_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_matrix_data_types.F qs_fb_matrix_data_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_utils.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optimize_basis_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optimize_basis_types.F optimize_basis_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'timings_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'util.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:26 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_matrix_data_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_matrix_data_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'parallel_rng_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_matrix_data_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_matrix_data_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_global.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_global.F dbt_tas_global.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_basis_types.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_fb_matrix_data_types.F:137:38: + + 137 | SUBROUTINE fb_matrix_data_associate(a, b) + | ^ +Warning: 'fb_matrix_data_associate' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_fb_matrix_data_types.F:299:35: + + 299 | SUBROUTINE fb_matrix_data_status(matrix_data, nmax, nblks, nencode, blk_sizes) + | ^ +Warning: 'fb_matrix_data_status' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.F:4266:31: 4266 | SUBROUTINE mp_type_free_v(type_descriptors) @@ -3303,8 +3321,6 @@ 4300 | FUNCTION mp_type_indexed_make_${nametype1}$ (count, lengths, displs) & | ^ Warning: 'mp_type_indexed_make_i' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_array_list_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_array_list_methods.F dbt_array_list_methods.F90 /build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.fypp:1826:23: 1826 | SUBROUTINE mp_prod_${nametype1}$ (msg, comm) @@ -3315,40 +3331,32 @@ 4300 | FUNCTION mp_type_indexed_make_${nametype1}$ (count, lengths, displs) & | ^ Warning: 'mp_type_indexed_make_l' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_fb_matrix_data_types.F:137:38: - - 137 | SUBROUTINE fb_matrix_data_associate(a, b) - | ^ -Warning: 'fb_matrix_data_associate' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_fb_matrix_data_types.F:299:35: - - 299 | SUBROUTINE fb_matrix_data_status(matrix_data, nmax, nblks, nencode, blk_sizes) - | ^ -Warning: 'fb_matrix_data_status' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_basis_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_array_list_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_array_list_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_util.F dbt_tas_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_global.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_global.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_array_list_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_array_list_methods.F dbt_array_list_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_array_list_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_array_list_methods.F90 /build/reproducible-path/cp2k-2025.1/src/kpsym.F:2263:89: 2263 | iremov, iwvk, j, jplace, k, n, nplane | ^ Warning: 'n' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_util.F dbt_tas_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fft_lib.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/fft/fft_lib.F fft_lib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_lib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fft_lib.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_neighbor_list_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F qs_neighbor_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_neighbor_list_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_grid_atom.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_lib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fft_lib.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_derivative_desc.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_derivative_desc.F xc_derivative_desc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'graphcon.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/graphcon.F graphcon.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_desc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_derivative_desc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"graphcon.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' graphcon.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pair_potential_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pair_potential_util.F pair_potential_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_neighbor_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_desc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_derivative_desc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pair_potential_util.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_derivative_desc.F:97:26: 97 | END FUNCTION desc_to_id @@ -3359,8 +3367,21 @@ 64 | FUNCTION desc_to_id(desc) RESULT(id) | ^ note: 'id' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'header.mod' due to: target does not exist -true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'graphcon.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/graphcon.F graphcon.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"graphcon.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' graphcon.F90 +/build/reproducible-path/cp2k-2025.1/src/pair_potential_util.F:164:31: + + 164 | value = value + lvalue + | ^ +Warning: 'pp' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pair_potential_util.F:52:97: + + 52 | REAL(KIND=dp) :: bd6, bd8, dampsum, f6, f8, lvalue, pp, & + | ^ +note: 'pp' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'header.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/header.F header.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molsym.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/molsym.F molsym.F90 /build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:331:28: @@ -3403,7 +3424,8 @@ 293 | INTEGER :: i, ij, ilist, me, nlist, nnode | ^ note: 'nnode' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:28 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molsym.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molsym.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molsym.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molsym.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"header.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' header.F90 /build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:227:61: 227 | list_search(il)%atom_list(ilist) = iatom @@ -3418,12 +3440,16 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_matrix_data_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'csvr_system_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/csvr_system_utils.F csvr_system_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_basis_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list_timerenv.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list_timerenv.F list_timerenv.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_global.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_global.F dbt_tas_global.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:28 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_timerenv.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list_timerenv.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:28 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_global.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_global.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' csvr_system_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_timerenv.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list_timerenv.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_global.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_array_list_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_util.mod' due to: target does not exist @@ -3437,65 +3463,134 @@ ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfft.a /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_neighbor_list_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pair_potential_types.mod' due to: target does not exist -true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_field_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_field_types.F force_field_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_derivative_desc.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_gcp_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gcp_types.F qs_gcp_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pair_potential_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pair_potential_util.F pair_potential_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gcp_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pair_potential_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_field_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_field_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pair_potential_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'header.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpsym.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_nl_hash_table_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_nl_hash_table_types.F qs_nl_hash_table_types.F90 -/build/reproducible-path/cp2k-2025.1/src/pair_potential_util.F:164:31: - - 164 | value = value + lvalue - | ^ -Warning: 'pp' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pair_potential_util.F:52:97: - - 52 | REAL(KIND=dp) :: bd6, bd8, dampsum, f6, f8, lvalue, pp, & - | ^ -note: 'pp' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_basis_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gcp_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'list_timerenv.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'graph_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a graph_utils.o graph_methods.o -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_field_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_field_types.F force_field_types.F90 -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a /build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nl_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_nl_hash_table_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pair_potential_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nl_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_nl_hash_table_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list.F list.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_field_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_field_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'graph.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F graph.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'list.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_field_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'graphcon.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'list.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'timings.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/timings.F timings.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/' graph.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_global.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' timings.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_nl_hash_table_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'graphcon.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'timings.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'periodic_table.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'graph_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph_methods.F graph_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/' graph_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_coulomb.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_coulomb_test.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb_test.F ai_coulomb_test.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_coulomb_test.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_coulomb_test.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph_methods.F:496:94: + + 496 | dx(:, irep) = dx(:, irep) + 0.5_dp*mep_input_data%kb*(xx0 - avg2)*(dxx - davg2) + | ^ +Warning: 'xx0' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph_methods.F:403:95: + + 403 | REAL(KIND=dp) :: avg1, avg2, diff, ene, norm_dx, xx0, yy0 + | ^ +note: 'xx0' was declared here +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph_methods.F:499:94: + + 499 | dx(:, irep) = dx(:, irep) + 0.5_dp*mep_input_data%kb*(yy0 - avg2)*(dyy - davg2) + | ^ +Warning: 'yy0' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph_methods.F:403:100: + + 403 | REAL(KIND=dp) :: avg1, avg2, diff, ene, norm_dx, xx0, yy0 + | ^ +note: 'yy0' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_overlap.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_moments.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F ai_moments.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'debug_os_integrals.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/debug_os_integrals.F debug_os_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_moments.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_moments.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"debug_os_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' debug_os_integrals.F90 +/build/reproducible-path/cp2k-2025.1/src/debug_os_integrals.F:46:36: + + 46 | SUBROUTINE overlap_ab_test_simple() + | ^ +Warning: 'overlap_ab_test_simple' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/debug_os_integrals.F:191:37: + + 191 | SUBROUTINE overlap_abc_test_simple() + | ^ +Warning: 'overlap_abc_test_simple' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/debug_os_integrals.F:386:38: + + 386 | SUBROUTINE overlap_aabb_test_simple() + | ^ +Warning: 'overlap_aabb_test_simple' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molsym.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'debug_os_integrals.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:1066:46: + + 1066 | s(1, 1, l) = rpc(i)*s(1, 1, l1) + | ^ +Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:995:85: + + 995 | INTEGER :: ax, ay, az, bx, by, bz, i, ipgf, j, & + | ^ +note: 'i' was declared here +/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:1066:46: + + 1066 | s(1, 1, l) = rpc(i)*s(1, 1, l1) + | ^ +Warning: 'l1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:996:74: + + 996 | jpgf, k, l, l1, l2, la, la_start, lb, & + | ^ +note: 'l1' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'graph_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a graph_utils.o graph_methods.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmetadyn_tools.a +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'graph.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F graph.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/' graph.F90 /build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:658:28: 658 | out3 = out2//"." @@ -3506,11 +3601,6 @@ 660 | out3 = out1//"." | 1 Warning: CHARACTER expression will be truncated in assignment (80/81) at (1) [-Wcharacter-truncation] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' timings.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_field_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'timings.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:412:12: 412 | i_map = 0 @@ -3651,60 +3741,6 @@ 59 | REAL(KIND=dp), POINTER :: delta_s(:, :), dp_cut(:), dp_grid(:), fes(:), & | ^ note: 'dp_cut.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_coulomb.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_coulomb_test.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb_test.F ai_coulomb_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:31 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_coulomb_test.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_overlap.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_moments.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F ai_moments.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'debug_os_integrals.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/debug_os_integrals.F debug_os_integrals.F90 -/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:31 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_moments.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_moments.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:31 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"debug_os_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' debug_os_integrals.F90 -/build/reproducible-path/cp2k-2025.1/src/debug_os_integrals.F:46:36: - - 46 | SUBROUTINE overlap_ab_test_simple() - | ^ -Warning: 'overlap_ab_test_simple' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/debug_os_integrals.F:191:37: - - 191 | SUBROUTINE overlap_abc_test_simple() - | ^ -Warning: 'overlap_abc_test_simple' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/debug_os_integrals.F:386:38: - - 386 | SUBROUTINE overlap_aabb_test_simple() - | ^ -Warning: 'overlap_aabb_test_simple' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molsym.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'debug_os_integrals.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:1066:46: - - 1066 | s(1, 1, l) = rpc(i)*s(1, 1, l1) - | ^ -Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:995:85: - - 995 | INTEGER :: ax, ay, az, bx, by, bz, i, ipgf, j, & - | ^ -note: 'i' was declared here -/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:1066:46: - - 1066 | s(1, 1, l) = rpc(i)*s(1, 1, l1) - | ^ -Warning: 'l1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:996:74: - - 996 | jpgf, k, l, l1, l2, la, la_start, lb, & - | ^ -note: 'l1' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_contract_block.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_moments.mod' due to: target does not exist @@ -3723,68 +3759,63 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/reference_manager.F reference_manager.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_log_handling.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_log_handling.F cp_log_handling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_report.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' timings_report.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_result_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_result_methods.F cp_result_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_sh_p_s_c.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' t_sh_p_s_c.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp_perf_test.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mpiwrap/mp_perf_test.F mp_perf_test.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_c_g0.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' t_c_g0.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/reference_manager.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' reference_manager.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'parallel_rng_types_unittest.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/parallel_rng_types_unittest.F parallel_rng_types_unittest.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_log_handling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_log_handling.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbm_api.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_api.F dbm_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_result_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_grid_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_grid_types.F pw_grid_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_sh_p_s_c.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' t_sh_p_s_c.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_report.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' timings_report.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_parser_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_types.F cp_parser_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_log_handling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_log_handling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_result_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/reference_manager.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' reference_manager.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/mp_perf_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/mpiwrap/' mp_perf_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_c_g0.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' t_c_g0.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbm/dbm_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbm/' dbm_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' parallel_rng_types_unittest.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_grid_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' parallel_rng_types_unittest.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/mp_perf_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/mpiwrap/' mp_perf_test.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbm/dbm_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbm/' dbm_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_grid_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_blacs_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_blacs_types.F cp_blacs_types.F90 /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_api.F:1335:44: 1335 | SUBROUTINE dbcsr_distribution_new_wrapper(dist, mp_comm, row_dist_block, col_dist_block) | ^ Warning: 'dbcsr_distribution_new_wrapper' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_blacs_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_blacs_types.F cp_blacs_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_blacs_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_base.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_base.F ps_wavelet_base.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_blacs_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'domain_submatrix_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/domain_submatrix_types.F domain_submatrix_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_base.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_base.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pexsi_interface.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pexsi_interface.F pexsi_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' domain_submatrix_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_base.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_base.F90 +/build/reproducible-path/cp2k-2025.1/Makefile: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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' domain_submatrix_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'arnoldi_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_types.F arnoldi_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pexsi_interface.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbcsr_vector.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbcsrx/dbcsr_vector.F dbcsr_vector.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pexsi_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'submatrix_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/submatrix_types.F submatrix_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsrx/dbcsr_vector.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbcsrx/' dbcsr_vector.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_com_tasks_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_com_tasks_types.F qs_fb_com_tasks_types.F90 /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_base.F:2106:31: 2106 | SUBROUTINE F_unfill_downcorn(md1, md3, lot, nfft, n3, zw, zf, scal, ehartreetmp) | ^ Warning: 'f_unfill_downcorn' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_contraction_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsrx/dbcsr_vector.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbcsrx/' dbcsr_vector.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_com_tasks_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_com_tasks_types.F qs_fb_com_tasks_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'group_dist_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/group_dist_types.F group_dist_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dgemm_counter_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dgemm_counter_types.F dgemm_counter_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' submatrix_types.F90 /build/reproducible-path/cp2k-2025.1/src/common/cp_result_methods.F:267:50: 267 | IF (PRESENT(n_entries)) n_entries = size_res @@ -3795,24 +3826,19 @@ 239 | INTEGER :: i, k, nlist, nrep, size_res, size_values | ^ note: 'size_res' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a hfx_contraction_methods.o hfx_contract_block.o hfx_compression_core_methods.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'group_dist_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/group_dist_types.F group_dist_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dgemm_counter_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dgemm_counter_types.F dgemm_counter_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_log_handling.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' submatrix_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbm_api.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_grid_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"group_dist_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' group_dist_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fft_tools.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/fft_tools.F fft_tools.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_com_tasks_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_com_tasks_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dgemm_counter_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dgemm_counter_types.F90 /build/reproducible-path/cp2k-2025.1/src/common/cp_result_methods.F:194:50: 194 | IF (PRESENT(n_entries)) n_entries = size_res @@ -3823,7 +3849,11 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft_tools.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' fft_tools.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_com_tasks_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_com_tasks_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fft_tools.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/fft_tools.F fft_tools.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"group_dist_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' group_dist_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dgemm_counter_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dgemm_counter_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_enumeration_types.o' due to: target does not exist @@ -3840,20 +3870,15 @@ Warning: 'dbcsr_matrixt_vector_mult_z' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_parser_ilist_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_ilist_methods.F cp_parser_ilist_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_enumeration_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_enumeration_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft_tools.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' fft_tools.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_enumeration_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_enumeration_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_parser_inpp_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_inpp_methods.F cp_parser_inpp_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_blacs_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 't_c_g0.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minimax_exp.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minimax/minimax_exp.F minimax_exp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_ilist_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'domain_submatrix_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pexsi_interface.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_ilist_methods.F90 /build/reproducible-path/cp2k-2025.1/src/qs_fb_com_tasks_types.F:218:36: 218 | SUBROUTINE fb_com_tasks_associate(a, b) @@ -3874,29 +3899,30 @@ 305 | SUBROUTINE fb_com_tasks_init(com_tasks) | ^ Warning: 'fb_com_tasks_init' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minimax_exp.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minimax/minimax_exp.F minimax_exp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'domain_submatrix_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_inpp_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pexsi_interface.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'libint_2c_3c.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/libint_2c_3c.F libint_2c_3c.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_inpp_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_exp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'splines_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/splines_methods.F splines_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_result_methods.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_exp.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target '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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_2c_3c.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' libint_2c_3c.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target '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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_2c_3c.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' libint_2c_3c.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'submatrix_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_contraction_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 't_sh_p_s_c.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' splines_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'domain_submatrix_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/domain_submatrix_methods.F domain_submatrix_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' splines_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_lbfgs_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_lbfgs_types.F almo_scf_lbfgs_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' domain_submatrix_methods.F90 /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_inpp_methods.F:598:75: 598 | newline = input_line(1:pos1 - 3)//var_value//input_line(pos2 + 2:) @@ -3907,16 +3933,24 @@ 660 | END FUNCTION inpp_find_variable | ^ note: '.var_value' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_lbfgs_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_lbfgs_types.F almo_scf_lbfgs_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'group_dist_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_lbfgs_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_lbfgs_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dgemm_counter_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ls_matrix_exp.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ls_matrix_exp.F ls_matrix_exp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' domain_submatrix_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_lbfgs_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_lbfgs_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ls_matrix_exp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ls_matrix_exp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a hfx_contraction_methods.o hfx_contract_block.o hfx_compression_core_methods.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2khfxbase.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_array_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_array_utils.F cp_array_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ls_matrix_exp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ls_matrix_exp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_units.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_units.F cp_units.F90 /build/reproducible-path/cp2k-2025.1/src/domain_submatrix_methods.F:770:31: @@ -3924,8 +3958,10 @@ 770 | SUBROUTINE trace_submatrices(A, B, trace) | ^ Warning: 'trace_submatrices' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_array_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_units.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_units.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_units.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_units.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_array_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_error_handling.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_error_handling.F cp_error_handling.F90 /build/reproducible-path/cp2k-2025.1/src/common/cp_array_utils.F:195:45: 195 | nRiga = cp_to_string(SIZE(array, 2)) @@ -3951,84 +3987,83 @@ 439 | desc = cp_unit_desc(unit) | 1 Warning: CHARACTER expression will be truncated in assignment (80/120) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_error_handling.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_error_handling.F cp_error_handling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_error_handling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_error_handling.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cg_test.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cg_test.F cg_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_error_handling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_error_handling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cg_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cg_test.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bibliography.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/bibliography.F bibliography.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cg_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cg_test.F90 /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a mp_perf_test.o mp_perf_env.o message_passing.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbm_tests.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_tests.F dbm_tests.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bibliography.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' bibliography.F90 +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmpiwrap.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_types.F dbt_tas_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbm/dbm_tests.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbm/' dbm_tests.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbm/dbm_tests.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbm/' dbm_tests.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bibliography.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' bibliography.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_enumeration_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_ilist_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target '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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_operators_r12.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_operators_r12.F ai_operators_r12.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operators_r12.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_operators_r12.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minimax_exp.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'splines_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_error_handling.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'submatrix_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_com_tasks_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operators_r12.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_operators_r12.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_lbfgs_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ls_matrix_exp.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cg_test.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp_perf_test.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a minimax_rpa.o minimax_exp_k53.o minimax_exp_k15.o minimax_exp_gw.o minimax_exp.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_array_utils.mod' due to: target does not exist +ar: /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_array_utils.mod' due to: target does not exist +true +creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kminimax.a +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_parser_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_methods.F cp_parser_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_blacs_env.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_blacs_env.F cp_blacs_env.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_env.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_blacs_env.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_gaussian.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_gaussian.F eri_mme_gaussian.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cg_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'distribution_1d_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/distribution_1d_types.F distribution_1d_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a dbm_tests.o dbm_api.o dbm_shard.o dbm_multiply_opencl.o dbm_multiply_gpu.o dbm_multiply_cpu.o dbm_multiply_comm.o dbm_multiply.o dbm_mpi.o dbm_mempool.o dbm_matrix.o dbm_library.o dbm_distribution.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_types.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_env.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_blacs_env.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_split.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_split.F dbt_tas_split.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_gaussian.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_gaussian.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/distribution_1d_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' distribution_1d_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_split.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_split.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbm_tests.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_gaussian.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_gaussian.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_units.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_split.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_split.F dbt_tas_split.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/distribution_1d_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' distribution_1d_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_split.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_split.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'libint_2c_3c.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a" /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_methods.F:1421:33: 1421 | object8 = object8*iz8 @@ -4039,14 +4074,25 @@ 1381 | INTEGER(KIND=int_8) :: iz8, object8 | ^ note: 'object8' was declared here +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a dbm_tests.o dbm_api.o dbm_shard.o dbm_multiply_opencl.o dbm_multiply_gpu.o dbm_multiply_cpu.o dbm_multiply_comm.o dbm_multiply.o dbm_mpi.o dbm_mempool.o dbm_matrix.o dbm_library.o dbm_distribution.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbm.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_val_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/input_val_types.F input_val_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_val_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_val_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_val_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_val_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cell_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/cell_types.F cell_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cell_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' cell_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_blacs_env.mod' due to: target does not exist -true +/build/reproducible-path/cp2k-2025.1/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-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cell_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' cell_types.F90 /build/reproducible-path/cp2k-2025.1/src/pw/fft_tools.F:3230:62: 3230 | fft_scratch_last%fft_scratch%fft_scratch_id + 1 @@ -4057,8 +4103,6 @@ 2884 | fft_scratch_last, & | ^ note: 'fft_scratch_last' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'libint_2c_3c.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_split.F:578:44: 578 | iproc = pcoord(1)*pdims(2) + pcoord(2) @@ -4079,8 +4123,6 @@ 561 | INTEGER, DIMENSION(2) :: pcoord, pcoord_group, pdims_group | ^ note: 'pcoord[1]' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ct_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ct_types.F ct_types.F90 /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_split.F:541:94: 541 | IF (PRESENT(iproc_group)) iproc_group = pcoord_group(1)*pdims_group(2) + pcoord_group(2) @@ -4101,21 +4143,12 @@ 523 | INTEGER, DIMENSION(2) :: pcoord, pcoord_group | ^ note: 'pcoord_group[1]' was declared here -/build/reproducible-path/cp2k-2025.1/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-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ct_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_base.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'distribution_1d_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_struct.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_struct.F cp_fm_struct.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_util.F ps_wavelet_util.F90 /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_split.F:369:105: 369 | nsplit_opt = get_opt_nsplit(pdim_split, nsplit, split_pgrid=.TRUE., pdim_nonsplit=pdim_nonsplit) @@ -4126,92 +4159,86 @@ 341 | pdim_nonsplit, pdim_split | ^ note: 'pdim_split' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'distribution_2d_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/distribution_2d_types.F distribution_2d_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_2d_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' distribution_2d_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_struct.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_struct.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eri_mme_gaussian.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_lattice_summation.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_lattice_summation.F eri_mme_lattice_summation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_blacs_env.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_split.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_struct.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_struct.F cp_fm_struct.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'distribution_2d_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/distribution_2d_types.F distribution_2d_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'global_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/global_types.F global_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_types.F almo_scf_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_struct.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_struct.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_operators_r12.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ct_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"global_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' global_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_2d_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' distribution_2d_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'domain_submatrix_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_split.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ct_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ct_types.F ct_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_base.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_base.F dbt_tas_base.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ct_types.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_util.F:154:15: + + 154 | ELSE IF (istart + 1 <= nlim) THEN !this condition assures that we have perform good zero padding + | ^ +Warning: 'nlim' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_util.F:92:74: + + 92 | nd2, nd3, nlim, nwb, nwbl, nwbr, nxc, & + | ^ +note: 'nlim' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_base.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_base.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"global_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' global_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_lattice_summation.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_lattice_summation.F eri_mme_lattice_summation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_upf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_upf.F atom_upf.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'subcell_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subcell_types.F subcell_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subcell_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' subcell_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_upf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_upf.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbcsr_vector.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subcell_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' subcell_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_diis_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_diis_types.F almo_scf_diis_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'space_groups_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/space_groups_types.F space_groups_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/space_groups_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' space_groups_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_diis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_diis_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/space_groups_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' space_groups_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a dbcsr_vector.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm_message.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_message.F swarm_message.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_types.F tmc_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_base.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_base.F dbt_tas_base.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_base.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_base.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_val_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_util.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_base.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_message.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_message.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'distribution_2d_types.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_neighbor_list_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_neighbor_list_types.F fist_neighbor_list_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_upf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_upf.F atom_upf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_neighbor_list_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'global_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'subcell_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'domain_submatrix_methods.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_upf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_upf.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'space_groups_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'statistical_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/statistical_methods.F statistical_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:47 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"statistical_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' statistical_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm_message.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_message.F swarm_message.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_keyword_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/input_keyword_types.F input_keyword_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:47 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_message.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_message.F90 -/build/reproducible-path/cp2k-2025.1/src/statistical_methods.F:440:19: - - 440 | SUBROUTINE tests(xdata, globenv) - | ^ -Warning: 'tests' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_linked_list_input.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_linked_list_input.F cp_linked_list_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:47 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_keyword_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_keyword_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:47 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_linked_list_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_linked_list_input.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_struct.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_util.F ps_wavelet_util.F90 -/build/reproducible-path/cp2k-2025.1/src/input/input_keyword_types.F:546:83: - - 546 | c_string = cp_unit_desc(keyword%unit, accept_undefined=.TRUE.) - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/120) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'distribution_2d_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_neighbor_list_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_external_control.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_external_control.F cp_external_control.F90 /build/reproducible-path/cp2k-2025.1/src/atom_upf.F:510:29: 510 | CPASSERT(ms <= m) @@ -4222,40 +4249,8 @@ 446 | INTEGER :: icount, m, mc, ms | ^ note: 'm' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbcsr_vector.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:47 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_diis_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_diis_types.F almo_scf_diis_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_external_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_external_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_diis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_diis_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'statistical_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a dbcsr_vector.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrx.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_linked_list_input.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_types.F cp_fm_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_types.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'arnoldi_data_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_data_methods.F arnoldi_data_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/cp_external_control.F:216:53: - - 216 | time_check = m_walltime() - my_start_time - | ^ -Warning: 'my_start_time' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/cp_external_control.F:104:73: - - 104 | REAL(KIND=dp) :: my_start_time, my_target_time, t1, t2, & - | ^ -note: 'my_start_time' was declared here /build/reproducible-path/cp2k-2025.1/src/almo_scf_diis_types.F:516:41: 516 | almo_scf_diis_error_overlap = trace @@ -4276,20 +4271,11 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_data_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_data_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_util.F:154:15: - - 154 | ELSE IF (istart + 1 <= nlim) THEN !this condition assures that we have perform good zero padding - | ^ -Warning: 'nlim' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_util.F:92:74: - - 92 | nd2, nd3, nlim, nwb, nwbl, nwbr, nxc, & - | ^ -note: 'nlim' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'arnoldi_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_methods.F arnoldi_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_neighbor_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_data_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_data_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_methods.F90 /build/reproducible-path/cp2k-2025.1/src/almo_scf_diis_types.F:317:75: 317 | diis_env%m_b(idomain)%mdata(in_point + 1, irow + 1) = trace0 @@ -4300,31 +4286,46 @@ 230 | REAL(KIND=dp) :: trace0 | ^ note: 'trace0' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_analysis_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_analysis_types.F tmc_analysis_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_util.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ct_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_upf.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'space_groups_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_external_control.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'statistical_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/statistical_methods.F statistical_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a" +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"statistical_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' statistical_methods.F90 +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a whittaker.o util.o timings_types.o timings_report.o timings_base_type.o timings.o t_sh_p_s_c.o t_c_g0.o structure_factors.o structure_factor_types.o string_utilities.o string_table.o splines.o spherical_harmonics.o routine_map.o reference_manager.o print_messages.o powell.o physcon.o periodic_table.o parallel_rng_types.o memory_utilities.o mathlib.o mathconstants.o list_timerenv.o list_routinestat.o list_routinereport.o list_callstackentry.o list.o linear_systems.o lebedev.o lapack.o kahan_sum.o gamma.o fparser.o eigenvalueproblems.o distribution_1d_types.o d3_poly.o cp_units.o cp_result_types.o cp_result_methods.o cp_min_heap.o cp_log_handling.o cp_iter_types.o cp_files.o cp_error_handling.o cp_array_utils.o cp_array_sort.o cg_test.o callgraph.o bibliography.o bessel_lib.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_val_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_analysis_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_kernel.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_kernel.F ps_wavelet_kernel.F90 /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_data_methods.F:217:32: 217 | SUBROUTINE set_eval_selection(ar_data, itype) | ^ Warning: 'set_eval_selection' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bibliography.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_data_methods.F:326:39: 326 | SUBROUTINE get_all_selected_ritz_val(ar_data, eval_out) | ^ Warning: 'get_all_selected_ritz_val' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_kernel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_kernel.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_diis_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_struct.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_kernel.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_kernel.F ps_wavelet_kernel.F90 +/build/reproducible-path/cp2k-2025.1/src/statistical_methods.F:440:19: + + 440 | SUBROUTINE tests(xdata, globenv) + | ^ +Warning: 'tests' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:162: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_kernel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_kernel.F90 /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_data_methods.F:318:37: 318 | END FUNCTION get_selected_ritz_val @@ -4335,27 +4336,14 @@ 298 | FUNCTION get_selected_ritz_val(ar_data, ind) RESULT(eval_out) | ^ note: 'eval_out' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_base.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_analysis_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_io.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_io.F dbt_tas_io.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_reshape_ops.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_reshape_ops.F dbt_tas_reshape_ops.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a" -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bibliography.mod' due to: target does not exist -true -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a whittaker.o util.o timings_types.o timings_report.o timings_base_type.o timings.o t_sh_p_s_c.o t_c_g0.o structure_factors.o structure_factor_types.o string_utilities.o string_table.o splines.o spherical_harmonics.o routine_map.o reference_manager.o print_messages.o powell.o physcon.o periodic_table.o parallel_rng_types.o memory_utilities.o mathlib.o mathconstants.o list_timerenv.o list_routinestat.o list_routinereport.o list_callstackentry.o list.o linear_systems.o lebedev.o lapack.o kahan_sum.o gamma.o fparser.o eigenvalueproblems.o distribution_1d_types.o d3_poly.o cp_units.o cp_result_types.o cp_result_methods.o cp_min_heap.o cp_log_handling.o cp_iter_types.o cp_files.o cp_error_handling.o cp_array_utils.o cp_array_sort.o cg_test.o callgraph.o bibliography.o bessel_lib.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kcommon.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pexsi_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pexsi_types.F pexsi_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_external_control.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_external_control.F cp_external_control.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cryssym.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cryssym.F cryssym.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_reshape_ops.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pexsi_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_external_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_external_control.F90 /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_message.F:822:33: 822 | arr(i) = ICHAR(str(i:i)) @@ -4366,11 +4354,37 @@ 237 | TYPE(message_entry_type), POINTER :: curr_entry | ^ note: 'curr_entry' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pexsi_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cryssym.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cryssym.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'submatrix_dissection.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/submatrix_dissection.F submatrix_dissection.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_dissection.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' submatrix_dissection.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cryssym.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cryssym.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_diis_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_dissection.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' submatrix_dissection.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'statistical_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_analysis_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_analysis_types.F tmc_analysis_types.F90 +/build/reproducible-path/cp2k-2025.1/src/cp_external_control.F:216:53: + + 216 | time_check = m_walltime() - my_start_time + | ^ +Warning: 'my_start_time' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/cp_external_control.F:104:73: + + 104 | REAL(KIND=dp) :: my_start_time, my_target_time, t1, t2, & + | ^ +note: 'my_start_time' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_analysis_types.F90 +/build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:178: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:174: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:194: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_base.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_keyword_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/input_keyword_types.F input_keyword_types.F90 /build/reproducible-path/cp2k-2025.1/src/cryssym.F:479:42: 479 | csym%kplink(1, j) = itoj @@ -4381,39 +4395,48 @@ 383 | iq3, istriz, isy, itoj, j, kr, li, lr, & | ^ note: 'itoj' was declared here -/build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:178: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:50 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:174: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:50 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:194: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:50 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_io.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_linked_list_input.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_linked_list_input.F cp_linked_list_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_types.F cp_fm_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_neighbor_list_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:162: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:51 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_data_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_upf.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_message.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pexsi_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_keyword_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_external_control.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cryssym.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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_keyword_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_keyword_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_data_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_section_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/input_section_types.F input_section_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:51 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_section_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_section_types.F90 -/build/reproducible-path/cp2k-2025.1/src/input/input_section_types.F:931:3: - - 931 | FUNCTION section_get_cval(section_vals, keyword_name) RESULT(res) - | ^ -Warning: 'section_get_cval' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/input/input_section_types.F:963:3: +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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_message.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_linked_list_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_linked_list_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_io.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_io.F dbt_tas_io.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_reshape_ops.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_reshape_ops.F dbt_tas_reshape_ops.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_analysis_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/input/input_keyword_types.F:546:83: - 963 | FUNCTION section_get_rvals(section_vals, keyword_name) RESULT(res) - | ^ -Warning: 'section_get_rvals' defined but not used [-Wunused-function] + 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] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_reshape_ops.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cryssym.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_io.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_linked_list_input.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_kernel.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_types.F:1279:10: 1279 | IF (docol) THEN @@ -4444,73 +4467,111 @@ 1063 | INTEGER :: handle, i, ic_max_local, ir_max_local, & | ^ note: 'ir_max_local' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_keyword_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_section_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/input_section_types.F input_section_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_section_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_section_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_reshape_ops.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/input/input_section_types.F:931:3: + + 931 | FUNCTION section_get_cval(section_vals, keyword_name) RESULT(res) + | ^ +Warning: 'section_get_cval' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/input/input_section_types.F:963:3: + + 963 | FUNCTION section_get_rvals(section_vals, keyword_name) RESULT(res) + | ^ +Warning: 'section_get_rvals' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_mm.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F dbt_tas_mm.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_kernel.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_mm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_mm.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fft_tools.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_grid_info.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_grid_info.F pw_grid_info.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_info.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_grid_info.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_section_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'submatrix_dissection.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'external_potential_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F external_potential_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_output_handling.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_output_handling.F cp_output_handling.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'basis_set_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_types.F basis_set_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_parsing.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/input_parsing.F input_parsing.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_efield_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_efield_types.F fist_efield_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_types.F atom_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_cdft_opt_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/external_potential_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' external_potential_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_output_handling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_output_handling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' basis_set_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_efield_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_parsing.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_parsing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_opt_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_opt_types.F90 -/build/reproducible-path/cp2k-2025.1/src/input/cp_output_handling.F:773:23: +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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_mm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_mm.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_info.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_grid_info.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_grid_info.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_grids.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F pw_grids.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_linked_list_fm.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_linked_list_fm.F cp_linked_list_fm.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_basic_linalg.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F cp_fm_basic_linalg.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_diag_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_diag_utils.F cp_fm_diag_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grids.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_grids.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_cusolver_api.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_cusolver_api.F cp_fm_cusolver_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_linked_list_fm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_linked_list_fm.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_types.F cp_cfm_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_basic_linalg.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner_types.F preconditioner_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'et_coupling_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/et_coupling_types.F et_coupling_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_diag_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cusolver_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_cusolver_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' et_coupling_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_laplace.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_laplace.F mp2_laplace.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_laplace.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_laplace.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_linked_list_fm.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_cusolver_api.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_pool_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_pool_types.F cp_fm_pool_types.F90 +/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_types.F:720:38: - 773 | outName = outPath - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'smeagol_control_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/smeagol_control_types.F smeagol_control_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eeq_input.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eeq_input.F eeq_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"smeagol_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' smeagol_control_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eeq_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eeq_input.F90 -/build/reproducible-path/cp2k-2025.1/src/smeagol_control_types.F:313:49: + 720 | SUBROUTINE cp_cfm_to_cfm_triangular(msource, mtarget, uplo) + | ^ +Warning: 'cp_cfm_to_cfm_triangular' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/et_coupling_types.F:74:34: - 313 | smeagol_control%project_name = project_name - | 1 -Warning: CHARACTER expression will be truncated in assignment (20/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_types.F:470:57: + 74 | SUBROUTINE get_et_coupling_type(et_coupling, et_mo_coeff, rest_mat) + | ^ +Warning: 'get_et_coupling_type' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_pool_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_pool_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:352:32: - 470 | basis_set%name = basis_set%name//basis_set_add%name - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/160) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_types.F:342:48: + 352 | SUBROUTINE cp_fm_lu_decompose(matrix_a, almost_determinant, correct_sign) + | ^ +Warning: 'cp_fm_lu_decompose' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:1980:29: - 342 | pbasis%name = basis_set%name//"_primitive" - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/90) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_field.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_field.F input_cp2k_field.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'metadynamics_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadynamics_types.F metadynamics_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_field.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_field.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:54 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' metadynamics_types.F90 + 1980 | SUBROUTINE cp_fm_lu_invert(matrix, info_out) + | ^ +Warning: 'cp_fm_lu_invert' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:2199:3: + + 2199 | FUNCTION cp_fm_latra(matrix) RESULT(res) + | ^ +Warning: 'cp_fm_latra' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_laplace.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'et_coupling_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_pool_types.F:265:27: + + 265 | SUBROUTINE fm_pools_copy(source_pools, target_pools) + | ^ +Warning: 'fm_pools_copy' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_diag_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_pool_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:1044:48: 1044 | nsplit_prv = INT((d1 - 1)/d2 + 1) @@ -4531,18 +4592,27 @@ 922 | INTEGER(KIND=int_8) :: d1, d2, nze1, nze2 | ^ note: 'd2' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_density_mixing_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_density_mixing_types.F qs_density_mixing_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_kpoints.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_kpoints.F input_cp2k_kpoints.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rel_control_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rel_control_types.F rel_control_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:54 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_mixing_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_density_mixing_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mom_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mom_types.F qs_mom_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:54 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_kpoints.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_kpoints.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_input.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_input.F qs_fb_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_section_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'external_potential_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F external_potential_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_output_handling.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_output_handling.F cp_output_handling.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'basis_set_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_types.F basis_set_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_parsing.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/input_parsing.F input_parsing.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_efield_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_efield_types.F fist_efield_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/external_potential_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' external_potential_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_types.F 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_output_handling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_output_handling.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_cdft_opt_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' basis_set_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_parsing.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_parsing.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_efield_types.F90 /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:1509:120: 1509 | nsplit = INT(MIN(INT(numnodes, KIND=int_8), NINT(REAL(max_nze, dp)/(REAL(min_nze, dp)*s_opt_factor), KIND=int_8))) @@ -4563,10 +4633,151 @@ 1490 | INTEGER(KIND=int_8) :: max_nze, min_nze | ^ note: 'min_nze' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:54 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rel_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rel_control_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:54 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mom_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'extended_system_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/extended_system_types.F extended_system_types.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1408:32: + + 1408 | DO n = nlim(1), nlim(2) + | ^ +Warning: 'nlim' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1380:94: + + 1380 | INTEGER :: l, m, mm, n, n_upperlimit, nlim(2), nn + | ^ +note: 'nlim' declared here +/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1408:32: + + 1408 | DO n = nlim(1), nlim(2) + | ^ +Warning: 'nlim' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1380:94: + + 1380 | INTEGER :: l, m, mm, n, n_upperlimit, nlim(2), nn + | ^ +note: 'nlim' declared here +/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1400:47: + + 1400 | n = n_upperlimit - bounds(1, 3) + 1 + | ^ +Warning: 'n_upperlimit' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1380:85: + + 1380 | INTEGER :: l, m, mm, n, n_upperlimit, nlim(2), nn + | ^ +note: 'n_upperlimit' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_opt_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_opt_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'smeagol_control_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/smeagol_control_types.F smeagol_control_types.F90 +/build/reproducible-path/cp2k-2025.1/src/input/cp_output_handling.F:773:23: + + 773 | outName = outPath + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_types.F:470:57: + + 470 | basis_set%name = basis_set%name//basis_set_add%name + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/160) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_types.F:342:48: + + 342 | pbasis%name = basis_set%name//"_primitive" + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/90) at (1) [-Wcharacter-truncation] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"smeagol_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' smeagol_control_types.F90 +/build/reproducible-path/cp2k-2025.1/src/smeagol_control_types.F:313:49: + + 313 | smeagol_control%project_name = project_name + | 1 +Warning: CHARACTER expression will be truncated in assignment (20/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:2153:34: + + 2153 | ALLOCATE (work_sp(lwork)) + | ^ +Warning: 'lwork' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:2116:44: + + 2116 | INTEGER :: nrows, ncols, handle, lwork, nrows_local, ncols_local + | ^ +note: 'lwork' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eeq_input.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eeq_input.F eeq_input.F90 +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:616:76: + + 616 | IF (nze_c_sum > default_nsplit_accept_ratio*MAX(nze_a, nze_b)) THEN + | ^ +Warning: 'matrix_c_rep' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:135:85: + + 135 | matrix_b_rs, matrix_c_rep, matrix_c_rs + | ^ +note: 'matrix_c_rep' was declared here +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:637:85: + + 637 | CALL dbt_tas_write_dist(matrix_a_rep, unit_nr_prv, full_info=log_verbose) + | ^ +Warning: 'matrix_a_rep' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:134:72: + + 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-2025.1/src/dbt/tas/dbt_tas_mm.F:459:85: + + 459 | CALL dbt_tas_write_dist(matrix_b_rep, unit_nr_prv, full_info=log_verbose) + | ^ +Warning: 'matrix_b_rep' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:134:99: + + 134 | TYPE(dbt_tas_type), POINTER :: matrix_a_rep, matrix_a_rs, matrix_b_rep, & + | ^ +note: 'matrix_b_rep' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eeq_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eeq_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_field.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_field.F input_cp2k_field.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1001:17: + + 1001 | .OR. .NOT. blocking) THEN + | ^ +Warning: 'blocking' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:810:68: + + 810 | LOGICAL :: blocking + | ^ +note: 'blocking' was declared here +/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1512:19: + + 1512 | IF (n > n_upperlimit) CYCLE + | ^ +Warning: 'n_upperlimit' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1457:79: + + 1457 | mm, n, n_upperlimit, nn + | ^ +note: 'n_upperlimit' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_field.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_field.F90 +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:1712:45: + + 1712 | IF (PRESENT(det_a)) det_a = determinant + | ^ +Warning: 'determinant' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:1553:61: + + 1553 | REAL(KIND=dp) :: determinant, my_eps_svd + | ^ +note: 'determinant' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'metadynamics_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadynamics_types.F metadynamics_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_density_mixing_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_density_mixing_types.F qs_density_mixing_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' metadynamics_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_kpoints.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_kpoints.F input_cp2k_kpoints.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_block_davidson_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_block_davidson_types.F qs_block_davidson_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_kpoints.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_kpoints.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_mixing_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_density_mixing_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rel_control_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rel_control_types.F rel_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_block_davidson_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_block_davidson_types.F90 /build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_types.F:2519:37: 2519 | ss = ss + sss*ca(i)*cb(j) @@ -4577,10 +4788,6 @@ 2499 | REAL(KIND=dp) :: ab, ai, aj, s00, sss | ^ note: 'sss' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:54 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"extended_system_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' extended_system_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'free_energy_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/free_energy_types.F free_energy_types.F90 /build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:2336:72: 2336 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1))) @@ -4601,7 +4808,19 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"free_energy_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' free_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rel_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rel_control_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mom_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mom_types.F qs_mom_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_input.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_input.F qs_fb_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'extended_system_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/extended_system_types.F extended_system_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'free_energy_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/free_energy_types.F free_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mom_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"extended_system_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' extended_system_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"free_energy_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' free_energy_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'reftraj_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/reftraj_types.F reftraj_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'thermal_region_types.o' due to: target does not exist @@ -4610,80 +4829,19 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_libxc_wrap.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_libxc_wrap.F xc_libxc_wrap.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' reftraj_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' thermal_region_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'submatrix_dissection.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' reftraj_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_exstate.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_exstate.F input_cp2k_exstate.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc_wrap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_libxc_wrap.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_exstate.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_exstate.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' thermal_region_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc_wrap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_libxc_wrap.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_external.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_external.F input_cp2k_external.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_exstate.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_exstate.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_external.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_external.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_harris.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_harris.F input_cp2k_harris.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_distribution.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_distribution.F input_cp2k_distribution.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'iao_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/iao_types.F iao_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_external.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_external.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_atprop.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_atprop.F input_cp2k_atprop.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_harris.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_harris.F90 -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:616:76: - - 616 | IF (nze_c_sum > default_nsplit_accept_ratio*MAX(nze_a, nze_b)) THEN - | ^ -Warning: 'matrix_c_rep' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:135:85: - - 135 | matrix_b_rs, matrix_c_rep, matrix_c_rs - | ^ -note: 'matrix_c_rep' was declared here -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:637:85: - - 637 | CALL dbt_tas_write_dist(matrix_a_rep, unit_nr_prv, full_info=log_verbose) - | ^ -Warning: 'matrix_a_rep' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:134:72: - - 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-2025.1/src/dbt/tas/dbt_tas_mm.F:459:85: - - 459 | CALL dbt_tas_write_dist(matrix_b_rep, unit_nr_prv, full_info=log_verbose) - | ^ -Warning: 'matrix_b_rep' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:134:99: - - 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-2025.1/Makefile:513: update target 'input_cp2k_read.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_read.F input_cp2k_read.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_distribution.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_distribution.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iao_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' iao_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atprop.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_atprop.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_read.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_read.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_gaussian_input.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_input.F qmmm_gaussian_input.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_restart_rng.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_restart_rng.F input_restart_rng.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gopt_param_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/gopt_param_types.F gopt_param_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optimize_basis_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optimize_basis_utils.F optimize_basis_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_rng.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_restart_rng.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gaussian_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_param_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' gopt_param_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_optimize_basis.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_optimize_basis.F input_optimize_basis.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_history.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/glbopt_history.F glbopt_history.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm_mpi.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_mpi.F swarm_mpi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_basis_utils.F90 /build/reproducible-path/cp2k-2025.1/src/atom_types.F:2908:56: 2908 | READ (line_att, *) potential%nrpot(ic, l), potential%bpot(ic, l), potential%apot(ic, l) @@ -4694,16 +4852,6 @@ 2851 | INTEGER :: i, ic, l, ncore, nel | ^ note: 'l' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_history.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_history.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_move_handle.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_move_handle.F tmc_move_handle.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_optimize_basis.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_grid_info.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_output_handling.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_types.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1629:72: 1629 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1))) @@ -4724,23 +4872,13 @@ 1492 | strlen1, strlen2 | ^ note: 'strlen1' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a input_val_types.o input_section_types.o input_parsing.o input_keyword_types.o input_enumeration_types.o cp_parser_types.o cp_parser_status_types.o cp_parser_methods.o cp_parser_inpp_types.o cp_parser_inpp_methods.o cp_parser_ilist_types.o cp_parser_ilist_methods.o cp_parser_buffer_types.o cp_output_handling.o cp_linked_list_input.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_efield_types.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_mpi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_mpi.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_cdft_opt_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_handle.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_move_handle.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'smeagol_control_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eeq_input.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_control.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_control.F xas_control.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_distribution.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_distribution.F input_cp2k_distribution.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_harris.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_harris.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'iao_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/iao_types.F iao_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_atprop.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_atprop.F input_cp2k_atprop.F90 /build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1444:72: 1444 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1))) @@ -4761,57 +4899,93 @@ 1303 | INTEGER :: irep, l, strlen1, strlen2 | ^ note: 'strlen2' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_distribution.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_distribution.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_read.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_read.F input_cp2k_read.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iao_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' iao_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_read.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_read.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_gaussian_input.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_input.F qmmm_gaussian_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atprop.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_atprop.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_restart_rng.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_restart_rng.F input_restart_rng.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_rng.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_restart_rng.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gopt_param_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/gopt_param_types.F gopt_param_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gaussian_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optimize_basis_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optimize_basis_utils.F optimize_basis_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_param_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' gopt_param_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_optimize_basis.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_optimize_basis.F input_optimize_basis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_history.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/glbopt_history.F glbopt_history.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_basis_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm_mpi.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_mpi.F swarm_mpi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_optimize_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_history.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_history.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_move_handle.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_move_handle.F tmc_move_handle.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_mpi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_mpi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_handle.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_move_handle.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_mm.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_output_handling.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a input_val_types.o input_section_types.o input_parsing.o input_keyword_types.o input_enumeration_types.o cp_parser_types.o cp_parser_status_types.o cp_parser_methods.o cp_parser_inpp_types.o cp_parser_inpp_methods.o cp_parser_ilist_types.o cp_parser_ilist_methods.o cp_parser_buffer_types.o cp_output_handling.o cp_linked_list_input.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kinput.a +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_efield_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_cdft_opt_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'smeagol_control_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eeq_input.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_control.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_control.F xas_control.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_types.F qs_dispersion_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_types.F xtb_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb_utils.F qs_dftb_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_field.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fp_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fp_types.F fp_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_types.F90 -/build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_input.F:1077:101: - - 1077 | qmmm_gaussian_fns(IRad)%pgf%Ak(istart + 1:) = qmmm_gaussian_fns(IRad)%pgf%Ak(istart + 1:)/rc - | ^ -Warning: 'rc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_input.F:671:70: - - 671 | REAL(KIND=dp) :: radius, rc - | ^ -note: 'rc' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fp_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fp_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'metadynamics_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gaussian_gridlevels.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw_env/gaussian_gridlevels.F gaussian_gridlevels.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/gaussian_gridlevels.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw_env/' gaussian_gridlevels.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'linesearch.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/linesearch.F linesearch.F90 -/build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_input.F:652:101: +/build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_input.F:1077:101: - 652 | qmmm_gaussian_fns(IRad)%pgf%Ak(istart + 1:) = qmmm_gaussian_fns(IRad)%pgf%Ak(istart + 1:)/rc + 1077 | qmmm_gaussian_fns(IRad)%pgf%Ak(istart + 1:) = qmmm_gaussian_fns(IRad)%pgf%Ak(istart + 1:)/rc | ^ Warning: 'rc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_input.F:237:81: +/build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_input.F:671:70: - 237 | REAL(KIND=dp) :: my_radius, radius, rc - | ^ + 671 | REAL(KIND=dp) :: radius, rc + | ^ note: 'rc' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"linesearch.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' linesearch.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/gaussian_gridlevels.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw_env/' gaussian_gridlevels.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_density_mixing_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_hfx.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_hfx.F input_cp2k_hfx.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner_types.F preconditioner_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_hfx.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_hfx.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner_types.F90 /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_move_handle.F:298:16: 298 | IF (move_types%mv_weight(ind) .GT. 0.0) THEN @@ -4822,34 +4996,24 @@ 77 | INTEGER :: i, i_rep, i_tmp, ind, n_items, & | ^ note: 'ind' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'et_coupling_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/et_coupling_types.F et_coupling_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_kpoints.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_block_davidson_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_block_davidson_types.F qs_block_davidson_types.F90 -/build/reproducible-path/cp2k-2025.1/src/linesearch.F:321:32: - - 321 | this%step_size = step_size - | ^ -Warning: 'step_size' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/linesearch.F:303:69: - - 303 | REAL(KIND=dp) :: step_size - | ^ -note: 'step_size' declared here -/build/reproducible-path/cp2k-2025.1/src/linesearch.F:322:27: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"linesearch.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' linesearch.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_hfx.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_hfx.F90 +/build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_input.F:652:101: - 322 | this%starts = is_done - | ^ -Warning: 'is_done' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/linesearch.F:302:67: + 652 | qmmm_gaussian_fns(IRad)%pgf%Ak(istart + 1:) = qmmm_gaussian_fns(IRad)%pgf%Ak(istart + 1:)/rc + | ^ +Warning: 'rc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_input.F:237:81: - 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' et_coupling_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_block_davidson_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_block_davidson_types.F90 + 237 | REAL(KIND=dp) :: my_radius, radius, rc + | ^ +note: 'rc' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_diis_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_diis_types.F qs_diis_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_kpoints.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_block_davidson_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rel_control_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mom_types.mod' due to: target does not exist @@ -4858,6 +5022,8 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'extended_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_diis_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_lattice_summation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_lattice_summation.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'free_energy_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'reftraj_types.mod' due to: target does not exist @@ -4870,26 +5036,43 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_pwdft.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_pwdft.F input_cp2k_pwdft.F90 -/build/reproducible-path/cp2k-2025.1/src/et_coupling_types.F:74:34: +/build/reproducible-path/cp2k-2025.1/src/linesearch.F:321:32: - 74 | SUBROUTINE get_et_coupling_type(et_coupling, et_mo_coeff, rest_mat) - | ^ -Warning: 'get_et_coupling_type' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_methods.mod' due to: target does not exist -true + 321 | this%step_size = step_size + | ^ +Warning: 'step_size' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/linesearch.F:303:69: + + 303 | REAL(KIND=dp) :: step_size + | ^ +note: 'step_size' declared here +/build/reproducible-path/cp2k-2025.1/src/linesearch.F:322:27: + + 322 | this%starts = is_done + | ^ +Warning: 'is_done' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/linesearch.F:302:67: + + 302 | LOGICAL :: is_done + | ^ +note: 'is_done' declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'arnoldi_api.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_api.F arnoldi_api.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'smeagol_emtoptions.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/smeagol_emtoptions.F smeagol_emtoptions.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_charge_mixing.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_charge_mixing.F qs_charge_mixing.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_check.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_check.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_pwdft.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_pwdft.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_almo.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_almo.F input_cp2k_almo.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_check.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_check.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charge_mixing.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_charge_mixing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_pwdft.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_pwdft.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"smeagol_emtoptions.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' smeagol_emtoptions.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_almo.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_almo.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charge_mixing.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_charge_mixing.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_voronoi.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_voronoi.F input_cp2k_voronoi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"smeagol_emtoptions.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' smeagol_emtoptions.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_almo.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_almo.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_voronoi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_voronoi.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_exstate.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_external.mod' due to: target does not exist @@ -4898,14 +5081,10 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_distribution.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_voronoi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_voronoi.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_projection_rtp.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_projection_rtp.F input_cp2k_projection_rtp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_transport.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_transport.F input_cp2k_transport.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_opt.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_opt.F input_cp2k_opt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_projection_rtp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_projection_rtp.F90 /build/reproducible-path/cp2k-2025.1/src/input_cp2k_almo.F:672:10: 672 | IF (optimizer_type .EQ. optimizer_diis) THEN @@ -4916,27 +5095,38 @@ 580 | INTEGER :: optimizer_type | ^ note: 'optimizer_type' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_transport.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_transport.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_opt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_opt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_projection_rtp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_projection_rtp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_opt.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_opt.F input_cp2k_opt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_transport.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_transport.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_smeagol.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_smeagol.F input_cp2k_smeagol.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_lattice_summation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_lattice_summation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_smeagol.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_smeagol.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_opt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_opt.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'iao_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_laplace.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_laplace.F mp2_laplace.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_eip.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_eip.F input_cp2k_eip.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_laplace.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_laplace.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_smeagol.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_smeagol.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_eip.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_eip.F90 +/build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_api.F:493:13: + + 493 | IF (SQRT(rsnew) < control%threshold) control%converged = .TRUE. + | ^ +Warning: 'rsnew' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_api.F:398:83: + + 398 | REAL(KIND=dp) :: alpha, beta, pap, rsnew, rsold + | ^ +note: 'rsnew' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_embed.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_embed.F input_cp2k_embed.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_eip.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_eip.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_embed.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_embed.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_mixed.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_mixed.F input_cp2k_mixed.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_nnp.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_nnp.F input_cp2k_nnp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_embed.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_embed.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mixed.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_mixed.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_nnp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_nnp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_atprop.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_resp.o' due to: target does not exist @@ -4945,10 +5135,6 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_free_energy.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_free_energy.F input_cp2k_free_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_nnp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_nnp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mixed.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_mixed.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_resp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_resp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:09:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_free_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_free_energy.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gaussian_input.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_restart_rng.mod' due to: target does not exist @@ -4957,98 +5143,88 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_vib.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/input_cp2k_vib.F input_cp2k_vib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_resp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_resp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_free_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_free_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_vib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' input_cp2k_vib.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_green_cache.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_green_cache.F negf_green_cache.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_optimize_input.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_optimize_input.F input_optimize_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_cache.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_green_cache.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_negf.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_negf.F input_cp2k_negf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_vib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' input_cp2k_vib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_optimize_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_negf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_negf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_optimize_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_negf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_negf.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_constraints.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_constraints.F input_cp2k_constraints.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_constraints.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_constraints.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'farming_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/farming_methods.F farming_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a arnoldi_types.o arnoldi_methods.o arnoldi_geev.o arnoldi_data_methods.o arnoldi_api.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_vib.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_constraints.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_constraints.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_optimize_basis.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_optimize_input.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_input.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/glbopt_input.F glbopt_input.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_history.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' farming_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_mpi.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' farming_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_move_handle.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_mm.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_types.F dbt_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_test.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_test.F dbt_tas_test.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_grids.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_grids.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F pw_grids.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'external_potential_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_input.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_linked_list_fm.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_linked_list_fm.F cp_linked_list_fm.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_basic_linalg.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F cp_fm_basic_linalg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grids.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_grids.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_linked_list_fm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_linked_list_fm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_basic_linalg.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_diag_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_diag_utils.F cp_fm_diag_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_cusolver_api.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_cusolver_api.F cp_fm_cusolver_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_diag_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_types.F cp_cfm_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cusolver_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_cusolver_api.F90 +/build/reproducible-path/cp2k-2025.1/Makefile: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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_basic_linalg.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_basic_linalg.F cp_cfm_basic_linalg.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_test.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_operations.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_operations.F cp_dbcsr_operations.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'outer_scf_control_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/outer_scf_control_types.F outer_scf_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_basic_linalg.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_control.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_operations.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_operations.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_types.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"outer_scf_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' outer_scf_control_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fp_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:352:32: - - 352 | SUBROUTINE cp_fm_lu_decompose(matrix_a, almost_determinant, correct_sign) - | ^ -Warning: 'cp_fm_lu_decompose' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:1980:29: - - 1980 | SUBROUTINE cp_fm_lu_invert(matrix, info_out) - | ^ -Warning: 'cp_fm_lu_invert' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:2199:3: - - 2199 | FUNCTION cp_fm_latra(matrix) RESULT(res) - | ^ -Warning: 'cp_fm_latra' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gaussian_gridlevels.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'linesearch.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"outer_scf_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' outer_scf_control_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_hfx.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'et_coupling_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_block_davidson_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_diis_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_basic_linalg.F:190:37: + + 190 | SUBROUTINE cp_cfm_schur_product_cc(matrix_a, matrix_b, matrix_c) + | ^ +Warning: 'cp_cfm_schur_product_cc' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_scf.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_scf.F input_cp2k_scf.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'al_system_types.o' due to: target does not exist @@ -5057,26 +5233,21 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/csvr_system_types.F csvr_system_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gle_system_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gle_system_types.F gle_system_types.F90 -/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_types.F:720:38: - - 720 | SUBROUTINE cp_cfm_to_cfm_triangular(msource, mtarget, uplo) - | ^ -Warning: 'cp_cfm_to_cfm_triangular' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"al_system_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' al_system_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' csvr_system_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_scf.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_optimization.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_optimization.F atom_optimization.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"al_system_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' al_system_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' csvr_system_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gle_system_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gle_system_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_optimization.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_optimization.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_check.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_pwdft.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gle_system_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gle_system_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'arnoldi_api.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_api.F arnoldi_api.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_api.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'smeagol_emtoptions.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_optimization.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_optimization.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_charge_mixing.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_almo.mod' due to: target does not exist @@ -5089,13 +5260,8 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_opt.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_smeagol.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_laplace.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_eip.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_api.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_embed.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_mixed.mod' due to: target does not exist @@ -5108,201 +5274,364 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_basis_utils.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_green_cache.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'farming_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_constraints.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_negf.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_optimize_input.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_input.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_minhop.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/glbopt_minhop.F glbopt_minhop.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_types.F dbt_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_test.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_test.F dbt_tas_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:02 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_minhop.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_minhop.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:02 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:02 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_test.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a dbt_tas_util.o dbt_tas_types.o dbt_tas_test.o dbt_tas_split.o dbt_tas_reshape_ops.o dbt_tas_mm.o dbt_tas_io.o dbt_tas_global.o dbt_tas_base.o +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_unittest.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_unittest.F dbt_tas_unittest.F90 +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_types.F pw_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atomic_kind_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/atomic_kind_types.F atomic_kind_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:02 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' atomic_kind_types.F90 -/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1408:32: - - 1408 | DO n = nlim(1), nlim(2) - | ^ -Warning: 'nlim' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1380:94: - - 1380 | INTEGER :: l, m, mm, n, n_upperlimit, nlim(2), nn - | ^ -note: 'nlim' declared here -/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1408:32: - - 1408 | DO n = nlim(1), nlim(2) - | ^ -Warning: 'nlim' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1380:94: - - 1380 | INTEGER :: l, m, mm, n, n_upperlimit, nlim(2), nn - | ^ -note: 'nlim' declared here -/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1400:47: - - 1400 | n = n_upperlimit - bounds(1, 3) + 1 - | ^ -Warning: 'n_upperlimit' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1380:85: - - 1380 | INTEGER :: l, m, mm, n, n_upperlimit, nlim(2), nn - | ^ -note: 'n_upperlimit' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_linked_list_fm.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_diag_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_cusolver_api.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_minhop.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_minhop.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_elpa.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_elpa.F cp_fm_elpa.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_unittest.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_dlaf_api.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_dlaf_api.F cp_fm_dlaf_api.F90 +/build/reproducible-path/cp2k-2025.1/Makefile: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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' atomic_kind_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'outer_scf_control_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_types.F pao_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_elpa.F\"" -I'/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_dlaf_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_dlaf_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_types.F90 +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_dlaf_api.F:246:36: + + 246 | eigenvalues(1:n) = eig(1:n) + | ^ +Warning: 'MEM [(real(kind=8)[0:] *)_18][_37]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_dlaf_api.F:248:40: + + 248 | eigenvalues(1:nmo) = eig(1:nmo) + | ^ +Warning: 'MEM [(real(kind=8)[0:] *)_18][_113]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_dlaf_api.F:141:36: + + 141 | eigenvalues(1:n) = eig(1:n) + | ^ +Warning: 'MEM [(real(kind=8)[0:] *)_18][_37]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_dlaf_api.F:143:40: + + 143 | eigenvalues(1:nmo) = eig(1:nmo) + | ^ +Warning: 'MEM [(real(kind=8)[0:] *)_18][_112]' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'al_system_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:02 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gle_system_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_optimization.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'parallel_gemm_api.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/parallel_gemm_api.F parallel_gemm_api.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'iterate_matrix.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/iterate_matrix.F iterate_matrix.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_smeagol.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_integr_cc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F negf_integr_cc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"parallel_gemm_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' parallel_gemm_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iterate_matrix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' iterate_matrix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_cc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_integr_cc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_integr_simpson.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_integr_simpson.F negf_integr_simpson.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm_input.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_input.F swarm_input.F90 -/build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_api.F:493:13: - - 493 | IF (SQRT(rsnew) < control%threshold) control%converged = .TRUE. - | ^ -Warning: 'rsnew' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_api.F:398:83: - - 398 | REAL(KIND=dp) :: alpha, beta, pap, rsnew, rsold - | ^ -note: 'rsnew' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_minhop.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atomic_kind_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1001:17: +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_dlaf_api.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_simpson.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_integr_simpson.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_dlaf_api.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_dlaf_api.F cp_cfm_dlaf_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'realspace_grid_cube.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/realspace_grid_cube.F realspace_grid_cube.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dct.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dct.F dct.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_operations.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_nonbond_env_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_nonbond_env_types.F fist_nonbond_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_dlaf_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_dlaf_api.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hirshfeld_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hirshfeld_types.F hirshfeld_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' realspace_grid_cube.F90 +/build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F:398:57: - 1001 | .OR. .NOT. blocking) THEN - | ^ -Warning: 'blocking' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:810:68: + 398 | ALLOCATE (zdata_tmp(nnodes_half + nnodes_exist)) + | ^ +Warning: 'nnodes_half' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F:342:71: - 810 | LOGICAL :: blocking - | ^ -note: 'blocking' was declared here -/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1512:19: + 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dct.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dct.F90 +/build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F:284:41: - 1512 | IF (n > n_upperlimit) CYCLE - | ^ -Warning: 'n_upperlimit' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1457:79: + 284 | ALLOCATE (xnodes_next(nnodes_next)) + | ^ +Warning: 'nnodes_next' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F:258:84: - 1457 | mm, n, n_upperlimit, nn - | ^ -note: 'n_upperlimit' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_pool_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_pool_types.F cp_fm_pool_types.F90 -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:2153:34: + 258 | nnodes_half, nnodes_next + | ^ +note: 'nnodes_next' declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpoint_transitional.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_transitional.F kpoint_transitional.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_nonbond_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hirshfeld_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_transitional.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_transitional.F90 +/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_dlaf_api.F:134:36: - 2153 | ALLOCATE (work_sp(lwork)) - | ^ -Warning: 'lwork' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:2116:44: + 134 | eigenvalues(1:n) = eig(1:n) + | ^ +Warning: 'MEM [(real(kind=8)[0:] *)_18][_37]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_dlaf_api.F:136:40: - 2116 | INTEGER :: nrows, ncols, handle, lwork, nrows_local, ncols_local - | ^ -note: 'lwork' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_pool_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_pool_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_nonbond_env_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_nonbond_env_types.F fist_nonbond_env_types.F90 + 136 | eigenvalues(1:nmo) = eig(1:nmo) + | ^ +Warning: 'MEM [(real(kind=8)[0:] *)_18][_113]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_dlaf_api.F:96:36: + + 96 | eigenvalues(1:n) = eig(1:n) + | ^ +Warning: 'MEM [(real(kind=8)[0:] *)_18][_37]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_dlaf_api.F:98:40: + + 98 | eigenvalues(1:nmo) = eig(1:nmo) + | ^ +Warning: 'MEM [(real(kind=8)[0:] *)_18][_112]' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_force_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_force_types.F qs_force_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho0_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho0_types.F qs_rho0_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mo_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mo_types.F qs_mo_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_period_efield_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_period_efield_types.F qs_period_efield_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_force_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho0_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot_types.F qs_ot_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mo_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_scf.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_period_efield_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_period_efield_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pair_potential.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pair_potential.F pair_potential.F90 -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:1712:45: - - 1712 | IF (PRESENT(det_a)) det_a = determinant - | ^ -Warning: 'determinant' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:1553:61: - - 1553 | REAL(KIND=dp) :: determinant, my_eps_svd - | ^ -note: 'determinant' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_nonbond_env_types.F90 -/build/reproducible-path/cp2k-2025.1/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] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_force_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pair_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'thermostat_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_types.F thermostat_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_api.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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pair_potential.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'parallel_gemm_api.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a arnoldi_types.o arnoldi_methods.o arnoldi_geev.o arnoldi_data_methods.o arnoldi_api.o -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_input.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_cholesky.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_cholesky.F cp_dbcsr_cholesky.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' thermostat_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cholesky.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_cholesky.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_input.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_input.F pao_input.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/realspace_grid_cube.F:778:65: + + 778 | IF (MODULO(counter, num_entries_line) == 0 .OR. k == last_z) & + | ^ +Warning: 'last_z' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/realspace_grid_cube.F:648:92: + + 648 | INTEGER :: counter, i, islice, j, k, last_z, & + | ^ +note: 'last_z' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_param_fock.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_param_fock.F pao_param_fock.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_ml_gaussprocess.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_ml_gaussprocess.F pao_ml_gaussprocess.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_fock.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_fock.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:451:59: + + 451 | ALLOCATE (srcs_expand_all(maxn_sendrecv, group_size)) + | ^ +Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:269:73: + + 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_gaussprocess.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_ml_gaussprocess.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_ml_neuralnet.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_ml_neuralnet.F pao_ml_neuralnet.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_neuralnet.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_ml_neuralnet.F90 +/build/reproducible-path/cp2k-2025.1/src/pao_input.F:235:31: + + 235 | s = "GAUSSIAN_PROCESS" + | 1 +Warning: CHARACTER expression will be truncated in assignment (11/16) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/pao_input.F:237:29: + + 237 | s = "NEURAL_NETWORK" + | 1 +Warning: CHARACTER expression will be truncated in assignment (11/14) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'matrix_exp.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/matrix_exp.F matrix_exp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'soc_pseudopotential_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/soc_pseudopotential_utils.F soc_pseudopotential_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"matrix_exp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' matrix_exp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"soc_pseudopotential_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' soc_pseudopotential_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_b97_fxc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_b97_fxc.F xc_b97_fxc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97_fxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_b97_fxc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tip_scan_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tip_scan_types.F tip_scan_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_green_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_green_methods.F negf_green_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_integr_cc.mod' due to: target does not exist true -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libdbcsrarnoldi.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_minhop.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tip_scan_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' tip_scan_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_integr_simpson.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_test.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_input.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' thermostat_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a dbt_tas_util.o dbt_tas_types.o dbt_tas_test.o dbt_tas_split.o dbt_tas_reshape_ops.o dbt_tas_mm.o dbt_tas_io.o dbt_tas_global.o dbt_tas_base.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktas.a -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_unittest.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_unittest.F dbt_tas_unittest.F90 +/build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:166: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_copy_all.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_copy_all.F pw_copy_all.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_gpu.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_gpu.F pw_gpu.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_green_methods.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:1090:46: + + 1090 | ALLOCATE (pcs_bnds(2, 3, maxn_sendrecv)) + | ^ +Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:1046:87: + + 1046 | lb3_new, loc, maxn_sendrecv, rs_mpo, & + | ^ +note: 'maxn_sendrecv' was declared here +/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1080:51: + + 1080 | pot%set(1)%lj%epsilon = m_epsilon + | ^ +Warning: 'm_epsilon' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1003:98: + + 1003 | REAL(KIND=dp) :: hicut0, l_epsilon, l_sigma6, m_epsilon, & + | ^ +note: 'm_epsilon' was declared here +/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1078:49: + + 1078 | pot%set(1)%lj%sigma6 = m_sigma6 + | ^ +Warning: 'm_sigma6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1004:68: + + 1004 | m_sigma6, min_sigma6, rcovi, rcovj + | ^ +note: 'm_sigma6' was declared here +/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1085:77: + + 1085 | pot%spl_f%rcutsq_f = (min_sigma6/m_sigma6)**(1.0_dp/3.0_dp) + | ^ +Warning: 'min_sigma6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1004:80: + + 1004 | m_sigma6, min_sigma6, rcovi, rcovj + | ^ +note: 'min_sigma6' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_copy_all.F\"" -I'/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_gpu.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_gpu.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'particle_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/particle_types.F particle_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atomic_kind_list_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/atomic_kind_list_types.F atomic_kind_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_unittest.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' particle_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' atomic_kind_list_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' particle_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_cholesky.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_cholesky.F cp_fm_cholesky.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_elpa.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' atomic_kind_list_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_dlaf_api.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'basis_set_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_nonbond_env_types.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cholesky.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_cholesky.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hirshfeld_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_set_basis.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_set_basis.F atom_set_basis.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_utils.F atom_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_set_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_set_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gapw_1c_basis_set.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gapw_1c_basis_set.F gapw_1c_basis_set.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_harmonics_atom.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_harmonics_atom.F qs_harmonics_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_set_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_set_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harmonics_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_harmonics_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gapw_1c_basis_set.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gapw_1c_basis_set.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_pool_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_transitional.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gapw_1c_basis_set.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gapw_1c_basis_set.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho0_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_diis_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_diis_types.F qs_diis_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mo_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_types.F dm_ls_scf_types.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:556:67: + + 556 | ALLOCATE (recv_reqs(maxn_sendrecv), send_reqs(maxn_sendrecv)) + | ^ +Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:527:45: + + 527 | lb3_loc, lb3_new, loc, maxn_sendrecv, rs_mpo, ub1, ub1_loc, ub1_new, ub2, ub2_loc, & + | ^ +note: 'maxn_sendrecv' was declared here +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:666:53: + + 666 | cr3d_xpndd(:, :, ind:ub3_new) = catd_flipdbf + | ^ +Warning: 'ind' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:526:43: + + 526 | INTEGER :: group_size, handle, i, ind, lb1, lb1_loc, lb1_new, lb2, lb2_loc, lb2_new, lb3, & + | ^ +note: 'ind' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harmonics_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_types.F90 /build/reproducible-path/cp2k-2025.1/src/gapw_1c_basis_set.F:137:41: 137 | rr = LOG(zmall/0.05_dp)/LOG(fr1) @@ -5318,69 +5647,113 @@ 983 | FUNCTION prune_grid(fun, deps) RESULT(nc) | ^ Warning: 'prune_grid' 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_diis_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_scf.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/matrix_exp.F:514:89: + + 514 | Npq%local_data(:, k) = Npq%local_data(:, k) + scaleN*Tres%local_data(:, k) + | ^ +Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/matrix_exp.F:454:74: + + 454 | COMPLEX(KIND=dp) :: scaleD, scaleN + | ^ +note: 'REALPART_EXPR ' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_period_efield_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_matrix_pools.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_matrix_pools.F qs_matrix_pools.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_active_space_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_active_space_types.F qs_active_space_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_pools.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_matrix_pools.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_active_space_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermostat_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_tersoff.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_tersoff.F manybody_tersoff.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'iterate_matrix.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/iterate_matrix.F iterate_matrix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_tersoff.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_tersoff.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'generic_shg_integrals.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_int/generic_shg_integrals.F generic_shg_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iterate_matrix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' iterate_matrix.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'generic_shg_integrals_init.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_int/generic_shg_integrals_init.F generic_shg_integrals_init.F90 -/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1080:51: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_tersoff.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_tersoff.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'realspace_grid_cube.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_density_matrices.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_density_matrices.F qs_density_matrices.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'iterate_matrix.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:208:42: - 1080 | pot%set(1)%lj%epsilon = m_epsilon - | ^ -Warning: 'm_epsilon' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1003:98: + 208 | ALLOCATE (flipg_stat(maxn_sendrecv)) + | ^ +Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:170:90: - 1003 | REAL(KIND=dp) :: hicut0, l_epsilon, l_sigma6, m_epsilon, & - | ^ -note: 'm_epsilon' was declared here -/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1078:49: + 170 | INTEGER :: blocked, handle, maxn_sendrecv, & + | ^ +note: 'maxn_sendrecv' was declared here +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:218:44: - 1078 | pot%set(1)%lj%sigma6 = m_sigma6 - | ^ -Warning: 'm_sigma6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1004:68: + 218 | hmat2(1, 1) = scfac(1)*cell_hmat(1, 1) + | ^ +Warning: 'scfac[0]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:177:65: - 1004 | m_sigma6, min_sigma6, rcovi, rcovj - | ^ -note: 'm_sigma6' was declared here -/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1085:77: + 177 | REAL(KIND=dp), DIMENSION(3) :: scfac + | ^ +note: 'scfac[0]' was declared here +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:219:44: - 1085 | pot%spl_f%rcutsq_f = (min_sigma6/m_sigma6)**(1.0_dp/3.0_dp) - | ^ -Warning: 'min_sigma6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1004:80: + 219 | hmat2(2, 2) = scfac(2)*cell_hmat(2, 2) + | ^ +Warning: 'scfac[1]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:177:65: - 1004 | m_sigma6, min_sigma6, rcovi, rcovj - | ^ -note: 'min_sigma6' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'generic_os_integrals.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/generic_os_integrals.F generic_os_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' generic_shg_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' generic_shg_integrals_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"generic_os_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' generic_os_integrals.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_input.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_input.F pao_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_input.F90 -/build/reproducible-path/cp2k-2025.1/src/pao_input.F:235:31: + 177 | REAL(KIND=dp), DIMENSION(3) :: scfac + | ^ +note: 'scfac[1]' was declared here +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:220:44: - 235 | s = "GAUSSIAN_PROCESS" - | 1 -Warning: CHARACTER expression will be truncated in assignment (11/16) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/pao_input.F:237:29: + 220 | hmat2(3, 3) = scfac(3)*cell_hmat(3, 3) + | ^ +Warning: 'scfac[2]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:177:65: - 237 | s = "NEURAL_NETWORK" - | 1 -Warning: CHARACTER expression will be truncated in assignment (11/14) at (1) [-Wcharacter-truncation] + 177 | REAL(KIND=dp), DIMENSION(3) :: scfac + | ^ +note: 'scfac[2]' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'generic_shg_integrals.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_int/generic_shg_integrals.F generic_shg_integrals.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:105:50: + + 105 | ALLOCATE (dct_env%flipg_stat(maxn_sendrecv)) + | ^ +Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:90:81: + + 90 | INTEGER :: handle, maxn_sendrecv + | ^ +note: 'maxn_sendrecv' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'generic_shg_integrals_init.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_int/generic_shg_integrals_init.F generic_shg_integrals_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_matrices.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_density_matrices.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'generic_os_integrals.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/generic_os_integrals.F generic_os_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' generic_shg_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' generic_shg_integrals_init.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_cholesky.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile: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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"generic_os_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' generic_os_integrals.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param_fock.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_ml_gaussprocess.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_ml_neuralnet.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_optimizer.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_optimizer.F pao_optimizer.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'matrix_exp.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F almo_scf_methods.F90 /build/reproducible-path/cp2k-2025.1/src/atom_utils.F:1724:74: 1724 | assoc_laguerre(z, REAL(nu, KIND=dp) + 0.5_dp, i - 1) @@ -5391,54 +5764,117 @@ 1786 | ELEMENTAL FUNCTION assoc_laguerre(z, a, n) RESULT(res) | ^ note: 'res' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_param_fock.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_param_fock.F pao_param_fock.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_fock.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_fock.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_ml_gaussprocess.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_ml_gaussprocess.F pao_ml_gaussprocess.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:06 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_gaussprocess.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_ml_gaussprocess.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_ml_neuralnet.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_ml_neuralnet.F pao_ml_neuralnet.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:06 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_neuralnet.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_ml_neuralnet.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_optimize_ri_basis_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_optimize_ri_basis_types.F lri_optimize_ri_basis_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_optimize_ri_basis_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_green_cache.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_green_cache.F negf_green_cache.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_cache.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_green_cache.F90 -/build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:166: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_grids.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_optimize_ri_basis_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'soc_pseudopotential_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_b97_fxc.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tip_scan_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_green_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_copy_all.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'particle_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atomic_kind_list_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_basic_linalg.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_cholesky.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_basic_linalg.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_basic_linalg.F cp_cfm_basic_linalg.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_cholesky.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_cholesky.F cp_cfm_cholesky.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'soft_basis_set.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/soft_basis_set.F soft_basis_set.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_basic_linalg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/soft_basis_set.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' soft_basis_set.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_cholesky.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_cholesky.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/soft_basis_set.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' soft_basis_set.F90 +/build/reproducible-path/cp2k-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/src/almo_scf_methods.F:3034:33: + + 3034 | SUBROUTINE pseudo_matrix_power(A, Apow, power, N, range1, range1_thr, shift) + | ^ +Warning: 'pseudo_matrix_power' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'paw_basis_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/paw_basis_types.F paw_basis_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/paw_basis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' paw_basis_types.F90 -/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_basic_linalg.F:190:37: - - 190 | SUBROUTINE cp_cfm_schur_product_cc(matrix_a, matrix_b, matrix_c) - | ^ -Warning: 'cp_cfm_schur_product_cc' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'basis_set_container_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_container_types.F basis_set_container_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/paw_basis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' paw_basis_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'aux_basis_set.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/aux_basis_set.F aux_basis_set.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_container_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' basis_set_container_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/aux_basis_set.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' aux_basis_set.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dct.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_o3c_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_o3c_types.F qs_o3c_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_container_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' basis_set_container_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/aux_basis_set.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' aux_basis_set.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_o3c_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_cdft_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_cdft_types.F qs_cdft_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_set_basis.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_container_types.F:205:10: 205 | IF (ibas /= 0) THEN @@ -5449,55 +5885,83 @@ 186 | INTEGER :: basis_nr, i, ibas | ^ note: 'ibas' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_operations.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_operations.F cp_dbcsr_operations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_operations.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_operations.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'basis_set_container_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_set_basis.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gapw_1c_basis_set.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_harmonics_atom.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'soft_basis_set.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_types.F dm_ls_scf_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_diis_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_matrix_pools.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_o3c_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_active_space_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_types.F qs_loc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'scf_control_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/scf_control_types.F scf_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scf_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' scf_control_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile: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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rmsd.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rmsd.F rmsd.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rmsd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rmsd.F90 +/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2957:21: + + 2957 | ELSE IF (use_thr_only) THEN + | ^ +Warning: 'use_thr_only' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2813:99: + + 2813 | LOGICAL :: use_both, use_ranges_only, use_thr_only + | ^ +note: 'use_thr_only' was declared here +/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2941:16: + + 2941 | IF (use_ranges_only) THEN + | ^ +Warning: 'use_ranges_only' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2813:85: + + 2813 | LOGICAL :: use_both, use_ranges_only, use_thr_only + | ^ +note: 'use_ranges_only' was declared here +/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2928:13: + + 2928 | IF (use_both) THEN + | ^ +Warning: 'use_both' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2813:68: + + 2813 | LOGICAL :: use_both, use_ranges_only, use_thr_only + | ^ +note: 'use_both' was declared here +/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2816:79: + + 2816 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: temp1, temp2, temp3, temp4 + | ^ +Warning: 'temp3.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2816:79: Warning: 'temp3.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rmsd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rmsd.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_neighbor_lists.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_neighbor_lists.F fist_neighbor_lists.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_symmetry.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_symmetry.F cp_symmetry.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_neighbor_lists.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_symmetry.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_symmetry.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_eam.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_eam.F manybody_eam.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_allegro.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_allegro.F manybody_allegro.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_neighbor_lists.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_symmetry.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_symmetry.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_eam.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_eam.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_allegro.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_allegro.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_deepmd.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_deepmd.F manybody_deepmd.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_eam.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_eam.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_allegro.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_allegro.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_deepmd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_deepmd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 08:59:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_deepmd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_deepmd.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_gal.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_gal.F manybody_gal.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_gal21.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_gal21.F manybody_gal21.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_gal.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal21.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_gal21.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_nequip.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F manybody_nequip.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_gal.F90 /build/reproducible-path/cp2k-2025.1/src/manybody_deepmd.F:132:91: 132 | deepmd_data%model = deepmd_model_load(filename=pot%set(1)%deepmd%deepmd_file_name) @@ -5508,17 +5972,6 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_nequip.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_nequip.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_quip.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_quip.F manybody_quip.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_siepmann.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_siepmann.F manybody_siepmann.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_quip.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_quip.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_siepmann.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_siepmann.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_tersoff.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'iterate_matrix.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/manybody_allegro.F:294:88: 294 | CALL torch_model_load(allegro_data%model, pot%set(1)%allegro%allegro_file_name) @@ -5539,35 +5992,58 @@ 245 | INTEGER :: atom_a, atom_b, atom_idx, handle, i, iat, iat_use, iend, ifirst, igrp, ikind, & | ^ note: 'atom_idx' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_gal21.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_gal21.F manybody_gal21.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_nequip.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F manybody_nequip.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_quip.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_quip.F manybody_quip.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal21.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_gal21.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_nequip.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_nequip.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_quip.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_quip.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_siepmann.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_siepmann.F manybody_siepmann.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_tersoff.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_density_matrices.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'paw_basis_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target '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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_siepmann.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_siepmann.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'generic_os_integrals.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner_apply.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner_apply.F preconditioner_apply.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner_solvers.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner_solvers.F preconditioner_solvers.F90 +/build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F:274:85: + + 274 | CALL torch_model_load(nequip_data%model, pot%set(1)%nequip%nequip_file_name) + | ^ +Warning: 'pot' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F:244:63: + + 244 | TYPE(pair_potential_single_type), POINTER :: pot + | ^ +note: 'pot' was declared here +/build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F:421:39: + + 421 | atom_types(iat_use) = atom_idx + | ^ +Warning: 'atom_idx' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F:223:41: + + 223 | INTEGER :: atom_a, atom_b, atom_idx, handle, i, iat, iat_use, iend, ifirst, igrp, ikind, & + | ^ +note: 'atom_idx' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_apply.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner_apply.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_solvers.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner_solvers.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'aux_basis_set.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_input.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param_fock.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_ml_gaussprocess.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_ml_neuralnet.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_optimizer.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_optimizer.F pao_optimizer.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_optimize_ri_basis_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_green_cache.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_types.F pw_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'particle_list_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/particle_list_types.F particle_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_optimizer.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_ls.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_ls.F input_cp2k_ls.F90 /build/reproducible-path/cp2k-2025.1/src/manybody_gal.F:169:126: 169 | - gal%bxy*drji2*sinalpha*sinalpha)) @@ -5598,173 +6074,95 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ls.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_ls.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_optimizer.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf_curvy.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_curvy.F dm_ls_scf_curvy.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_optimize_ri_basis_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_active_space_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_active_space_utils.F qs_active_space_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_curvy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_curvy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_active_space_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_soc_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_soc_types.F qs_tddfpt2_soc_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a s_contract_shg.o generic_shg_integrals_init.o generic_shg_integrals.o construct_shg.o constants_operator.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_block.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_block.F dbt_block.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_soc_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_block.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_block.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_gpu.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'particle_list_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/particle_list_types.F particle_list_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'multipole_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/multipole_types.F multipole_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' particle_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_types.F90 -/build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F:274:85: - - 274 | CALL torch_model_load(nequip_data%model, pot%set(1)%nequip%nequip_file_name) - | ^ -Warning: 'pot' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F:244:63: - - 244 | TYPE(pair_potential_single_type), POINTER :: pot - | ^ -note: 'pot' was declared here -/build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F:421:39: - - 421 | atom_types(iat_use) = atom_idx - | ^ -Warning: 'atom_idx' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F:223:41: - - 223 | INTEGER :: atom_a, atom_b, atom_idx, handle, i, iat, iat_use, iend, ifirst, igrp, ikind, & - | ^ -note: 'atom_idx' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/multipole_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' multipole_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'colvar_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F colvar_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/colvar_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' colvar_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_elpa.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_elpa.F cp_fm_elpa.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_dlaf_api.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_dlaf_api.F cp_fm_dlaf_api.F90 -/build/reproducible-path/cp2k-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_elpa.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_elpa.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_dlaf_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_dlaf_api.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_basic_linalg.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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' particle_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/colvar_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' colvar_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/multipole_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' multipole_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_diag.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_diag.F cp_fm_diag.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_diag.F90 /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a" -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_o3c_types.mod' due to: target does not exist -true Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a sto_ng.o soft_basis_set.o paw_basis_types.o orbital_transformation_matrices.o orbital_symbols.o orbital_pointers.o basis_set_types.o basis_set_container_types.o aux_basis_set.o ao_util.o ai_verfc.o ai_spin_orbit.o ai_overlap_ppl.o ai_overlap_debug.o ai_overlap_aabb.o ai_overlap3_debug.o ai_overlap3.o ai_overlap.o ai_os_rr.o ai_operators_r12.o ai_operator_ra2m.o ai_oneelectron.o ai_onecenter.o ai_moments.o ai_kinetic.o ai_fermi_contact.o ai_eri_debug.o ai_elec_field.o ai_derivatives.o ai_coulomb_test.o ai_coulomb.o ai_contraction_sphi.o ai_contraction.o ai_angmom.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kao.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_operations.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_o3c_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_force_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'basis_set_container_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mo_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mo_types.F qs_mo_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_cdft_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_period_efield_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_period_efield_types.F qs_period_efield_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'soft_basis_set.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_force_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_local_rho_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_local_rho_types.F qs_local_rho_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpoint_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_types.F kpoint_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_dlaf_api.F:246:36: - - 246 | eigenvalues(1:n) = eig(1:n) - | ^ -Warning: 'MEM [(real(kind=8)[0:] *)_18][_37]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_dlaf_api.F:248:40: - - 248 | eigenvalues(1:nmo) = eig(1:nmo) - | ^ -Warning: 'MEM [(real(kind=8)[0:] *)_18][_113]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot_types.F qs_ot_types.F90 -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_dlaf_api.F:141:36: - - 141 | eigenvalues(1:n) = eig(1:n) - | ^ -Warning: 'MEM [(real(kind=8)[0:] *)_18][_37]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_dlaf_api.F:143:40: - - 143 | eigenvalues(1:nmo) = eig(1:nmo) - | ^ -Warning: 'MEM [(real(kind=8)[0:] *)_18][_112]' 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mo_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_period_efield_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_period_efield_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'scf_control_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rmsd.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_neighbor_lists.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_symmetry.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_rho_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_eam.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_allegro.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_deepmd.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_gal.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_gal21.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_nequip.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_quip.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_siepmann.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'parallel_gemm_api.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/parallel_gemm_api.F parallel_gemm_api.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'generic_shg_integrals.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_cholesky.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_cholesky.F cp_dbcsr_cholesky.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_o3c_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_o3c_methods.F qs_o3c_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cholesky.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_cholesky.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"parallel_gemm_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' parallel_gemm_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_o3c_methods.F90 /build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:1021:34: 1021 | np = n_oxygens + n_hydrogens @@ -5817,12 +6215,12 @@ | ^ Warning: 'i_oxygens.offset' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:1004:82: Warning: 'i_oxygens.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_ls.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_ls.F input_cp2k_ls.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_optimizer.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_apply.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_solvers.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_ls.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf_curvy.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_curvy.F dm_ls_scf_curvy.F90 /build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:1096:57: 1096 | np = n_oxygens_water + n_oxygens_acid + n_hydrogens @@ -5901,42 +6299,33 @@ | ^ Warning: 'i_oxygens_water.offset' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:1075:75: Warning: 'i_oxygens_water.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ls.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_ls.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'soc_pseudopotential_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/soc_pseudopotential_utils.F soc_pseudopotential_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_curvy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_curvy.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_soc_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_soc_types.F qs_tddfpt2_soc_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_integr_cc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F negf_integr_cc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_integr_simpson.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_integr_simpson.F negf_integr_simpson.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"soc_pseudopotential_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' soc_pseudopotential_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_soc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_cc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_integr_cc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_simpson.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_integr_simpson.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a s_contract_shg.o generic_shg_integrals_init.o generic_shg_integrals.o construct_shg.o constants_operator.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kshg_int.a -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_block.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_block.F dbt_block.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_o3c_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_active_space_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_soc_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_methods.F pw_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'multipole_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'particle_list_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_dlaf_api.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_elpa.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_environment_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_environment_types.F lri_environment_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_control_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_control_types.F cp_control_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_local_rho_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_block.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_block.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_dlaf_api.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_dlaf_api.F cp_cfm_dlaf_api.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'realspace_grid_cube.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/realspace_grid_cube.F realspace_grid_cube.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_environment_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_environment_utils.F mixed_environment_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_environment_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_restarts_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_restarts_util.F input_cp2k_restarts_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_potential.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_potential.F manybody_potential.F90 /build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:976:38: 976 | colvar%i_atom(i) = list(i) @@ -5947,131 +6336,54 @@ 505 | INTEGER, DIMENSION(:), POINTER :: list | ^ note: 'list.data' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dct.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dct.F dct.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_dlaf_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_dlaf_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dct.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dct.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' realspace_grid_cube.F90 -/build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F:398:57: - - 398 | ALLOCATE (zdata_tmp(nnodes_half + nnodes_exist)) - | ^ -Warning: 'nnodes_half' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F:342:71: - - 342 | nnodes_half, nnodes_next - | ^ -note: 'nnodes_half' was declared here -/build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F:284:41: - - 284 | ALLOCATE (xnodes_next(nnodes_next)) - | ^ -Warning: 'nnodes_next' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F:258:84: - - 258 | nnodes_half, nnodes_next - | ^ -note: 'nnodes_next' declared here -/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_dlaf_api.F:134:36: - - 134 | eigenvalues(1:n) = eig(1:n) - | ^ -Warning: 'MEM [(real(kind=8)[0:] *)_18][_37]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_dlaf_api.F:136:40: - - 136 | eigenvalues(1:nmo) = eig(1:nmo) - | ^ -Warning: 'MEM [(real(kind=8)[0:] *)_18][_113]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_dlaf_api.F:96:36: - - 96 | eigenvalues(1:n) = eig(1:n) - | ^ -Warning: 'MEM [(real(kind=8)[0:] *)_18][_37]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_dlaf_api.F:98:40: - - 98 | eigenvalues(1:nmo) = eig(1:nmo) - | ^ -Warning: 'MEM [(real(kind=8)[0:] *)_18][_112]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_environment_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_environment_types.F lri_environment_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hirshfeld_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hirshfeld_types.F hirshfeld_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpoint_transitional.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_transitional.F kpoint_transitional.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hirshfeld_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho0_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho0_types.F qs_rho0_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mo_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_environment_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_period_efield_types.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_transitional.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_transitional.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_matrix_pools.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_matrix_pools.F qs_matrix_pools.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho0_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_pools.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_matrix_pools.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_active_space_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_active_space_types.F qs_active_space_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_environment_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_environment_utils.F mixed_environment_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_active_space_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_environment_utils.F90 -/build/reproducible-path/cp2k-2025.1/src/pw/realspace_grid_cube.F:778:65: - - 778 | IF (MODULO(counter, num_entries_line) == 0 .OR. k == last_z) & - | ^ -Warning: 'last_z' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/realspace_grid_cube.F:648:92: - - 648 | INTEGER :: counter, i, islice, j, k, last_z, & - | ^ -note: 'last_z' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_restarts_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_restarts_util.F input_cp2k_restarts_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_restarts_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_restarts_util.F90 -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:451:59: - - 451 | ALLOCATE (srcs_expand_all(maxn_sendrecv, group_size)) - | ^ -Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:269:73: - - 269 | maxn_sendrecv, rs_dim1, rs_dim2, & - | ^ -note: 'maxn_sendrecv' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_neighbor_lists.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_allegro.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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_restarts_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_restarts_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_potential.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_realspace_grid_cube.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_realspace_grid_cube.F cp_realspace_grid_cube.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf_curvy.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_nequip.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_block.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'parallel_gemm_api.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_diag.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_cholesky.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_control_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_ls.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'exstates_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/exstates_types.F exstates_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf_curvy.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rt_propagation_types.F rt_propagation_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_realspace_grid_cube.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_environment_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'matrix_exp.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/matrix_exp.F matrix_exp.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F almo_scf_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'soc_pseudopotential_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_restarts_util.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_b97_fxc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_b97_fxc.F xc_b97_fxc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_soc_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exstates_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' exstates_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_condnum.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_condnum.F qs_condnum.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rt_propagation_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_condnum.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_condnum.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'maxwell_solver_interface.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/maxwell_solver_interface.F maxwell_solver_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"maxwell_solver_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' maxwell_solver_interface.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner_makes.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner_makes.F preconditioner_makes.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 's_square_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/s_square_methods.F s_square_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_makes.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner_makes.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_methods.F qs_scf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"s_square_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' s_square_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tip_scan_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tip_scan_types.F tip_scan_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_green_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_green_methods.F negf_green_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"matrix_exp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' matrix_exp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97_fxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_b97_fxc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_sigma_functional.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_sigma_functional.F rpa_sigma_functional.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gw_kp_to_real_space_and_back.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_kp_to_real_space_and_back.F gw_kp_to_real_space_and_back.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_sigma_functional.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_sigma_functional.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_kp_to_real_space_and_back.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_kp_to_real_space_and_back.F90 /build/reproducible-path/cp2k-2025.1/src/atom_utils.F:2264:34: 2264 | r1 = atom%basis%grid%rad(m1) @@ -6092,306 +6404,117 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_green_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tip_scan_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' tip_scan_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_integr_cc.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_integr_simpson.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_block.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_copy_all.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_copy_all.F pw_copy_all.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_gpu.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_gpu.F pw_gpu.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_gpu.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_gpu.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_copy_all.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_copy_all.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_cholesky.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_cholesky.F cp_fm_cholesky.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_dlaf_api.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hirshfeld_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_transitional.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cholesky.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_cholesky.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho0_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_matrix_pools.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_active_space_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'scf_control_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/scf_control_types.F scf_control_types.F90 -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:1090:46: - - 1090 | ALLOCATE (pcs_bnds(2, 3, maxn_sendrecv)) - | ^ -Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:1046:87: - - 1046 | lb3_new, loc, maxn_sendrecv, rs_mpo, & - | ^ -note: 'maxn_sendrecv' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scf_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' scf_control_types.F90 -/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:3034:33: - - 3034 | SUBROUTINE pseudo_matrix_power(A, Apow, power, N, range1, range1_thr, shift) - | ^ -Warning: 'pseudo_matrix_power' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_environment_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_restarts_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_potential.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_potential.F manybody_potential.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'realspace_grid_cube.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_density_matrices.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_density_matrices.F qs_density_matrices.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_active_space_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_active_space_utils.F qs_active_space_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_matrices.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_density_matrices.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_active_space_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_b97_fxc.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tip_scan_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_green_methods.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_io.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_io.F dbt_io.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_reshape_ops.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_reshape_ops.F dbt_reshape_ops.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_reshape_ops.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_reshape_ops.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_split.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_split.F dbt_split.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_split.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_split.F90 -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:556:67: - - 556 | ALLOCATE (recv_reqs(maxn_sendrecv), send_reqs(maxn_sendrecv)) - | ^ -Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:527:45: - - 527 | lb3_loc, lb3_new, loc, maxn_sendrecv, rs_mpo, ub1, ub1_loc, ub1_new, ub2, ub2_loc, & - | ^ -note: 'maxn_sendrecv' was declared here -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:666:53: - - 666 | cr3d_xpndd(:, :, ind:ub3_new) = catd_flipdbf - | ^ -Warning: 'ind' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:526:43: - - 526 | INTEGER :: group_size, handle, i, ind, lb1, lb1_loc, lb1_new, lb2, lb2_loc, lb2_new, lb3, & - | ^ -note: 'ind' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_copy_all.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'colvar_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_cholesky.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_cholesky.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_cholesky.F cp_cfm_cholesky.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_diag.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_diag.F cp_cfm_diag.F90 +/build/reproducible-path/cp2k-2025.1/src/rpa_sigma_functional.F:737:10: + + 737 | IF (sigma > x_coord(n)) inum = n + | ^ +Warning: 'n' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/rpa_sigma_functional.F:223:67: + + 223 | INTEGER :: i, m, n + | ^ +note: 'n' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_split.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_split.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_diag.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_diag.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_environment_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_cdft_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_cdft_types.F qs_cdft_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_cholesky.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_cholesky.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target '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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'paw_proj_set_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/paw_proj_set_types.F paw_proj_set_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_parameters.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_parameters.F xtb_parameters.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_colvar.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_colvar.F input_cp2k_colvar.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_local_rho_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_local_rho_types.F qs_local_rho_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_rho_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_local_rho_types.F90 -/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2957:21: - - 2957 | ELSE IF (use_thr_only) THEN - | ^ -Warning: 'use_thr_only' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2813:99: - - 2813 | LOGICAL :: use_both, use_ranges_only, use_thr_only - | ^ -note: 'use_thr_only' was declared here -/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2941:16: - - 2941 | IF (use_ranges_only) THEN - | ^ -Warning: 'use_ranges_only' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2813:85: - - 2813 | LOGICAL :: use_both, use_ranges_only, use_thr_only - | ^ -note: 'use_ranges_only' was declared here -/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2928:13: - - 2928 | IF (use_both) THEN - | ^ -Warning: 'use_both' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2813:68: - - 2813 | LOGICAL :: use_both, use_ranges_only, use_thr_only - | ^ -note: 'use_both' was declared here -/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2816:79: - - 2816 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: temp1, temp2, temp3, temp4 - | ^ -Warning: 'temp3.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2816:79: Warning: 'temp3.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_colvar.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_colvar.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpoint_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_types.F kpoint_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'scf_control_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'admm_dm_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_dm_types.F admm_dm_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"paw_proj_set_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' paw_proj_set_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_parameters.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_parameters.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_colvar.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_colvar.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_dm_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'exstates_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_types.F topology_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:19 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:19 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_realspace_grid_cube.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_realspace_grid_cube.F cp_realspace_grid_cube.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_density_matrices.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_realspace_grid_cube.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_compression.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_compression.F lri_compression.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:19 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_realspace_grid_cube.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:19 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_compression.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_compression.F90 -/build/reproducible-path/cp2k-2025.1/src/matrix_exp.F:514:89: - - 514 | Npq%local_data(:, k) = Npq%local_data(:, k) + scaleN*Tres%local_data(:, k) - | ^ -Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/matrix_exp.F:454:74: - - 454 | COMPLEX(KIND=dp) :: scaleD, scaleN - | ^ -note: 'REALPART_EXPR ' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_integrals.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_integrals.F lri_integrals.F90 -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:208:42: - - 208 | ALLOCATE (flipg_stat(maxn_sendrecv)) - | ^ -Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:170:90: - - 170 | INTEGER :: blocked, handle, maxn_sendrecv, & - | ^ -note: 'maxn_sendrecv' was declared here -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:218:44: - - 218 | hmat2(1, 1) = scfac(1)*cell_hmat(1, 1) - | ^ -Warning: 'scfac[0]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:177:65: - - 177 | REAL(KIND=dp), DIMENSION(3) :: scfac - | ^ -note: 'scfac[0]' was declared here -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:219:44: - - 219 | hmat2(2, 2) = scfac(2)*cell_hmat(2, 2) - | ^ -Warning: 'scfac[1]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:177:65: - - 177 | REAL(KIND=dp), DIMENSION(3) :: scfac - | ^ -note: 'scfac[1]' was declared here -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:220:44: - - 220 | hmat2(3, 3) = scfac(3)*cell_hmat(3, 3) - | ^ -Warning: 'scfac[2]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:177:65: - - 177 | REAL(KIND=dp), DIMENSION(3) :: scfac - | ^ -note: 'scfac[2]' was declared here -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:105:50: - - 105 | ALLOCATE (dct_env%flipg_stat(maxn_sendrecv)) - | ^ -Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:90:81: - - 90 | INTEGER :: handle, maxn_sendrecv - | ^ -note: 'maxn_sendrecv' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:19 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_integrals.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_o3c_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_compression.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_compression.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_condnum.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner_apply.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner_apply.F preconditioner_apply.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner_solvers.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner_solvers.F preconditioner_solvers.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_active_space_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'maxwell_solver_interface.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_io.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile: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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_apply.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner_apply.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_reshape_ops.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_makes.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_gpu.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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_integrals.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 's_square_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecule_kind_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/molecule_kind_types.F molecule_kind_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_diag.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_diag.F cp_fm_diag.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_solvers.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner_solvers.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' molecule_kind_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_cholesky.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_methods.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_diag.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dct.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_sigma_functional.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_cdft_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gw_kp_to_real_space_and_back.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_sgp.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_sgp.F atom_sgp.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_local_rho_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_make_propagators.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_make_propagators.F rt_make_propagators.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_make_propagators.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_make_propagators.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_io.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecule_kind_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/molecule_kind_types.F molecule_kind_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a cp_linked_list_fm.o cp_fm_types.o cp_fm_struct.o cp_fm_pool_types.o cp_fm_elpa.o cp_fm_dlaf_api.o cp_fm_diag_utils.o cp_fm_diag.o cp_fm_cusolver_api.o cp_fm_cholesky.o cp_fm_basic_linalg.o cp_dlaf_utils_api.o cp_cfm_types.o cp_cfm_dlaf_api.o cp_cfm_diag.o cp_cfm_cholesky.o cp_cfm_basic_linalg.o cp_blacs_types.o cp_blacs_env.o cp_fm_cusolver.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_dm_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' molecule_kind_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_diag.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_compression.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'matrix_exp.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_localization_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F qs_localization_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_sgp.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_sgp.F atom_sgp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_localization_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_sgp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_sgp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_parameters.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_sgp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_sgp.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gw_kp_to_real_space_and_back.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_kp_to_real_space_and_back.F gw_kp_to_real_space_and_back.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_kp_to_real_space_and_back.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_kp_to_real_space_and_back.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_methods.F pw_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_control_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_control_types.F cp_control_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_control_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'exstates_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/exstates_types.F exstates_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atoms_input.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atoms_input.F atoms_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atoms_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atoms_input.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_binary_restarts.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_binary_restarts.F input_cp2k_binary_restarts.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exstates_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' exstates_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atoms_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atoms_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_binary_restarts.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_binary_restarts.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_binary_restarts.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_binary_restarts.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_cp2k.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_cp2k.F topology_cp2k.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_gromos.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_gromos.F topology_gromos.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:11 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cp2k.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_cp2k.F90 /build/reproducible-path/cp2k-2025.1/src/atoms_input.F:441:84: 441 | core_particle_set(sh_index)%r(:) = rc(:, ishell)*unit_conv_core @@ -6402,37 +6525,23 @@ 287 | REAL(KIND=dp) :: dab, mass_com, rab(3), unit_conv_core, & | ^ note: 'unit_conv_core' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cp2k.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_cp2k.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_gromos.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_gromos.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:11 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_gromos.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_gromos.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_input.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_input.F topology_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:12 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_input.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_multiple_unit_cell.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_multiple_unit_cell.F topology_multiple_unit_cell.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_multiple_unit_cell.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_multiple_unit_cell.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_pdb.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_pdb.F topology_pdb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:12 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_multiple_unit_cell.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_multiple_unit_cell.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_pdb.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_xyz.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_xyz.F topology_xyz.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_pdb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xyz.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_xyz.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_integrals.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_apply.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/topology_pdb.F:317:63: 317 | my_local=.FALSE.) | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_solvers.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gw_kp_to_real_space_and_back.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecule_kind_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_diag.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/topology_gromos.F:280:21: 280 | nsolute = natom @@ -6443,18 +6552,50 @@ 66 | itype, iw, jatom, natom, natom_prev, nbond, nbond_prev, ncon, nsolute, nsolvent, ntype, & | ^ note: 'natom' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xyz.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_xyz.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_diag.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_diag.F cp_dbcsr_diag.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_diag.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_diag.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_integrals.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_colvar.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_make_propagators.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'admm_dm_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_dm_types.F admm_dm_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_dm_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'exstates_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2695:68: + + 2695 | CALL dcopy(nstate*n1, gmat(1, 1), 1, rotmat(1, 1), 1) + | ^ +Warning: 'gmat.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2493:64: + + 2493 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: gmat, rmat_loc, rmat_recv, rmat_send + | ^ +note: 'gmat.offset' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2606:80: + + 2606 | msgout=c_array_partner, source=ip_partner) + | ^ +Warning: 'gmat.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2493:64: + + 2493 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: gmat, rmat_loc, rmat_recv, rmat_send + | ^ +note: 'gmat.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2871:71: + + 2871 | ii = nblock_max*ip_has_i + i - ns_bound(ip_has_i, 1) + 1 + | ^ +Warning: 'ip_has_i' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2486:96: + + 2486 | INTEGER :: i, idim, ii, ik, il1, il2, il_recv, il_recv_partner, ilow1, ilow2, ip, ip_has_i, & + | ^ +note: 'ip_has_i' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_reshape_ops.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecule_kind_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_colvar.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rt_propagation_types.F rt_propagation_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rt_propagation_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atoms_input.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_cp2k.mod' due to: target does not exist @@ -6465,124 +6606,78 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_xyz.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_condnum.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_condnum.F qs_condnum.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'maxwell_solver_interface.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/maxwell_solver_interface.F maxwell_solver_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_condnum.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_condnum.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"maxwell_solver_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' maxwell_solver_interface.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner_makes.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner_makes.F preconditioner_makes.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 's_square_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/s_square_methods.F s_square_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_methods.F qs_scf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_makes.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner_makes.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"s_square_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' s_square_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_sigma_functional.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_sigma_functional.F rpa_sigma_functional.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_sigma_functional.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_sigma_functional.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_split.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecule_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/molecule_types.F molecule_types.F90 -/build/reproducible-path/cp2k-2025.1/src/atom_sgp.F:561:13: - - 561 | IF (nl_trans) THEN - | ^ -Warning: 'nl_trans' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atom_sgp.F:462:68: - - 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' molecule_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecule_kind_list_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/molecule_kind_list_types.F molecule_kind_list_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_diag.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_diag.F cp_cfm_diag.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' molecule_kind_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_diag.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_diag.F90 -/build/reproducible-path/cp2k-2025.1/src/rpa_sigma_functional.F:737:10: - - 737 | IF (sigma > x_coord(n)) inum = n - | ^ -Warning: 'n' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/rpa_sigma_functional.F:223:67: - - 223 | INTEGER :: i, m, n - | ^ -note: 'n' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'paw_proj_set_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/paw_proj_set_types.F paw_proj_set_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"paw_proj_set_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' paw_proj_set_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_parameters.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_parameters.F xtb_parameters.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_dm_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_binary_restarts.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_parameters.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_parameters.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_gromos.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_potential.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_input.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_condnum.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'maxwell_solver_interface.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 's_square_methods.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' molecule_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' molecule_kind_list_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_diag.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ct_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ct_methods.F ct_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_binary_restarts.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_sigma_functional.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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ct_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecule_kind_list_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_make_propagators.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_make_propagators.F rt_make_propagators.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_methods.F dbt_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecule_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecule_kind_list_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecule_list_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/molecule_list_types.F molecule_list_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'paw_proj_set_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'thermostat_mapping.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_mapping.F thermostat_mapping.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_make_propagators.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_make_propagators.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_connectivity_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_connectivity_util.F topology_connectivity_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_mapping.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' thermostat_mapping.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_intra_force.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_intra_force.F fist_intra_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_connectivity_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_connectivity_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:25 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_intra_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_intra_force.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_diag.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_makes.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_localization_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F qs_localization_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:25 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_localization_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_localization_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' molecule_list_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_molecules.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_molecules.F qs_loc_molecules.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecule_list_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/molecule_list_types.F molecule_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:25 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_molecules.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_molecules.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:25 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' molecule_list_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a cp_linked_list_fm.o cp_fm_types.o cp_fm_struct.o cp_fm_pool_types.o cp_fm_elpa.o cp_fm_dlaf_api.o cp_fm_diag_utils.o cp_fm_diag.o cp_fm_cusolver_api.o cp_fm_cholesky.o cp_fm_basic_linalg.o cp_dlaf_utils_api.o cp_cfm_types.o cp_cfm_dlaf_api.o cp_cfm_diag.o cp_cfm_cholesky.o cp_cfm_basic_linalg.o cp_blacs_types.o cp_blacs_env.o cp_fm_cusolver.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kfm.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_parameters.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_mapping.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' thermostat_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_connectivity_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_connectivity_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_intra_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_intra_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_molecules.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_molecules.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecule_list_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_potential.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_subsys_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/cp_subsys_types.F cp_subsys_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cp_subsys_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' cp_subsys_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_gromos.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/atom_sgp.F:561:13: + + 561 | IF (nl_trans) THEN + | ^ +Warning: 'nl_trans' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_sgp.F:462:68: + + 462 | LOGICAL :: nl_trans + | ^ +note: 'nl_trans' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_split.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_methods.F dbt_methods.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_loc_molecules.F:170:60: + + 170 | i = molecule_set(imol_now)%lmi(ispin)%nstates + | ^ +Warning: 'imol_now' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_loc_molecules.F:51:69: + + 51 | INTEGER :: counter, first_atom, i, iatom, ikind, imol, imol_now, istate, k, local_location, & + | ^ +note: 'imol_now' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_molecules.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_diag.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_diag.F cp_dbcsr_diag.F90 /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_mapping.F:980:66: 980 | id_region = map_loc_thermo_gen(iatm) @@ -6613,16 +6708,51 @@ 551 | INTEGER, DIMENSION(:), POINTER :: const_mol, tot_const | ^ note: 'MEM[(struct array01_integer(kind=4) &)&tot_const].dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_make_propagators.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a" +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_subsys_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecule_list_types.mod' due to: target does not exist +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a virial_types.o shell_potential_types.o particle_types.o particle_list_types.o multipole_types.o molecule_types.o molecule_list_types.o molecule_kind_types.o molecule_kind_list_types.o force_field_kind_types.o external_potential_types.o damping_dipole_types.o cp_subsys_types.o colvar_types.o cell_types.o atprop_types.o atomic_kind_types.o atomic_kind_list_types.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eip_environment_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eip_environment_types.F eip_environment_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'embed_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/embed_types.F embed_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ipi_environment_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eip_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' embed_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ipi_environment_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nnp_environment_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nnp_environment_types.F nnp_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_environment_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_intra_force.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_subsys_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/cp_subsys_types.F cp_subsys_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:26 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_diag.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_diag.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:26 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cp_subsys_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' cp_subsys_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fp_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fp_methods.F fp_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'virial_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/virial_methods.F virial_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fp_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"virial_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' virial_methods.F90 +/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_mapping.F:502:22: + + 502 | const_mol = 0 + | ^ +Warning: 'MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_mapping.F:97:69: + + 97 | INTEGER, DIMENSION(:), POINTER :: const_mol, tot_const + | ^ +note: 'MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dimer_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/dimer_types.F dimer_types.F90 +/build/reproducible-path/cp2k-2025.1/src/fp_methods.F:195:72: + + 195 | tmpstr = cp_iter_string(logger%iter_info, fp_env%print_section) + | 1 +Warning: CHARACTER expression will be truncated in assignment (15/80) at (1) [-Wcharacter-truncation] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' dimer_types.F90 /build/reproducible-path/cp2k-2025.1/src/atom_sgp.F:246:10: 246 | IF (do_transform) THEN @@ -6663,110 +6793,6 @@ 210 | TYPE(atom_ecppot_type), POINTER :: ecp_pot | ^ note: 'ecp_pot' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_loc_molecules.F:170:60: - - 170 | i = molecule_set(imol_now)%lmi(ispin)%nstates - | ^ -Warning: 'imol_now' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_loc_molecules.F:51:69: - - 51 | INTEGER :: counter, first_atom, i, iatom, ikind, imol, imol_now, istate, k, local_location, & - | ^ -note: 'imol_now' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_intra_force.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_molecules.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/atom_sgp.F:175:25: - - 175 | error(3) = errcc - | ^ -Warning: 'errcc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atom_sgp.F:89:65: - - 89 | REAL(KIND=dp) :: errcc, rcut - | ^ -note: 'errcc' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_diag.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ct_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ct_methods.F ct_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:26 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ct_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a" -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_subsys_types.mod' due to: target does not exist -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a -true -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a virial_types.o shell_potential_types.o particle_types.o particle_list_types.o multipole_types.o molecule_types.o molecule_list_types.o molecule_kind_types.o molecule_kind_list_types.o force_field_kind_types.o external_potential_types.o damping_dipole_types.o cp_subsys_types.o colvar_types.o cell_types.o atprop_types.o atomic_kind_types.o atomic_kind_list_types.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ksubsys.a -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eip_environment_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eip_environment_types.F eip_environment_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'embed_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/embed_types.F embed_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ipi_environment_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eip_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' embed_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nnp_environment_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nnp_environment_types.F nnp_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ipi_environment_types.F90 -/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_mapping.F:502:22: - - 502 | const_mol = 0 - | ^ -Warning: 'MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_mapping.F:97:69: - - 97 | INTEGER, DIMENSION(:), POINTER :: const_mol, tot_const - | ^ -note: 'MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_environment_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fp_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fp_methods.F fp_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'virial_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/virial_methods.F virial_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dimer_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/dimer_types.F dimer_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fp_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:28 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' dimer_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"virial_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' virial_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/fp_methods.F:195:72: - - 195 | tmpstr = cp_iter_string(logger%iter_info, fp_env%print_section) - | 1 -Warning: CHARACTER expression will be truncated in assignment (15/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2695:68: - - 2695 | CALL dcopy(nstate*n1, gmat(1, 1), 1, rotmat(1, 1), 1) - | ^ -Warning: 'gmat.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2493:64: - - 2493 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: gmat, rmat_loc, rmat_recv, rmat_send - | ^ -note: 'gmat.offset' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2606:80: - - 2606 | msgout=c_array_partner, source=ip_partner) - | ^ -Warning: 'gmat.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2493:64: - - 2493 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: gmat, rmat_loc, rmat_recv, rmat_send - | ^ -note: 'gmat.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2871:71: - - 2871 | ii = nblock_max*ip_has_i + i - ns_bound(ip_has_i, 1) + 1 - | ^ -Warning: 'ip_has_i' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2486:96: - - 2486 | INTEGER :: i, idim, ii, ik, il1, il2, il_recv, il_recv_partner, ilow1, ilow2, ip, ip_has_i, & - | ^ -note: 'ip_has_i' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_control_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_control_types.F negf_control_types.F90 /build/reproducible-path/cp2k-2025.1/src/fp_methods.F:181:53: 181 | fp_env%bias_weight = EXP(fp_env%bias_energy/kT) @@ -6777,96 +6803,111 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:28 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_control_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_control_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_control_types.F negf_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_control_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eip_environment_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'embed_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_sgp.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ipi_environment_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermostat_mapping.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eip_silicon.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eip_silicon.F eip_silicon.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:28 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_silicon.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eip_silicon.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fp_methods.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ct_methods.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dimer_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_silicon.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eip_silicon.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dimer_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/dimer_utils.F dimer_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target '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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' dimer_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'extended_system_mapping.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/extended_system_mapping.F extended_system_mapping.F90 +/build/reproducible-path/cp2k-2025.1/src/atom_sgp.F:175:25: + + 175 | error(3) = errcc + | ^ +Warning: 'errcc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_sgp.F:89:65: + + 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' extended_system_mapping.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'al_system_mapping.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_mapping.F al_system_mapping.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:28 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' al_system_mapping.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'csvr_system_mapping.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/csvr_system_mapping.F csvr_system_mapping.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'paw_proj_set_types.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' al_system_mapping.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'nnp_environment_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'extended_system_mapping.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/extended_system_mapping.F extended_system_mapping.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:28 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' csvr_system_mapping.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nnp_acsf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nnp_acsf.F nnp_acsf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' extended_system_mapping.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_acsf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_acsf.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nnp_model.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nnp_model.F nnp_model.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_model.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_model.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'virial_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ct_methods.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' csvr_system_mapping.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dimer_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dimer_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/dimer_utils.F dimer_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_types.F helium_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' dimer_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'al_system_mapping.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_mapping.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_control_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'al_system_init.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_init.F al_system_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' al_system_init.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nnp_acsf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nnp_acsf.F nnp_acsf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_acsf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_acsf.F90 /build/reproducible-path/cp2k-2025.1/src/motion/helium_types.F:391:41: 391 | SUBROUTINE helium_destroy_real_arr_ptr(real_arr_p) | ^ Warning: 'helium_destroy_real_arr_ptr' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nnp_model.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nnp_model.F nnp_model.F90 +/build/reproducible-path/cp2k-2025.1/Makefile: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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_model.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_model.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'al_system_mapping.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_sgp.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'al_system_init.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_init.F al_system_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' al_system_init.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_mapping.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'csvr_system_init.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/csvr_system_init.F csvr_system_init.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_subgroup_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_subgroup_types.F negf_subgroup_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' csvr_system_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_subgroup_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_subgroup_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' csvr_system_init.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'extended_system_mapping.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dimer_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_types.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'al_system_init.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'nnp_model.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_control_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_subgroup_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_subgroup_types.F negf_subgroup_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_subgroup_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_subgroup_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_init.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_subgroup_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'nnp_model.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'realspace_grid_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/realspace_grid_types.F realspace_grid_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_connectivity_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' realspace_grid_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eip_silicon.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'nnp_acsf.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nnp_force.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nnp_force.F nnp_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:33 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_force.F90 /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_methods.F:950:57: 950 | split = dbt_tas_info(tensor_large%matrix_rep) @@ -6887,20 +6928,15 @@ 630 | LOGICAL :: do_crop_1, do_crop_2, do_write_3, nodata_3, do_batched, pgrid_changed, & | ^ note: 'do_write_3' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_localization_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'realspace_grid_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/realspace_grid_types.F realspace_grid_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:34 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' realspace_grid_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'nnp_force.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_test.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_test.F dbt_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:36 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_test.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_localization_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_test.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'realspace_grid_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'grid_api.o' due to: target does not exist @@ -6913,32 +6949,28 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/cube_utils.F cube_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_rsgrid.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_rsgrid.F input_cp2k_rsgrid.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grid/grid_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/grid/' grid_api.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_realspace_grid_init.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_realspace_grid_init.F cp_realspace_grid_init.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pme_tools.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pme_tools.F pme_tools.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grid/grid_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/grid/' grid_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dgs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dgs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:39 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme_tools.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pme_tools.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cp_linked_list_pw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' cp_linked_list_pw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cube_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' cube_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_rsgrid.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_rsgrid.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:39 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_realspace_grid_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cp_linked_list_pw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' cp_linked_list_pw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dgs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dgs.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cube_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' cube_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_rsgrid.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_rsgrid.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_realspace_grid_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme_tools.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pme_tools.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_realspace_grid_init.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_rsgrid.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pme_tools.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cube_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mm_collocate_potential.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mm_collocate_potential.F mm_collocate_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:39 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_collocate_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mm_collocate_potential.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_linked_list_pw.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_rsgrid.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_collocate_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mm_collocate_potential.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pme_tools.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_pool_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_pool_types.F pw_pool_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a" /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'grid_api.mod' due to: target does not exist @@ -6948,17 +6980,19 @@ ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kgrid.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'task_list_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/task_list_types.F task_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:39 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_pool_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_pool_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:39 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' task_list_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_linked_list_pw.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_pool_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_pool_types.F pw_pool_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' task_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_pool_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_pool_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'task_list_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kg_environment_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kg_environment_types.F kg_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_environment_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mm_collocate_potential.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dgs.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_pool_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rs_methods.o' due to: target does not exist @@ -6971,28 +7005,30 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dirichlet_bc_types.F dirichlet_bc_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mt_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/mt_util.F mt_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/rs_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' rs_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dgs.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_spline_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_spline_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dielectric_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho_types.F qs_rho_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_derivative_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_derivative_types.F xc_derivative_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/rs_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' rs_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_nonloc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_nonloc.F qs_dispersion_nonloc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_nmr_epr_common_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_nmr_epr_common_utils.F qs_linres_nmr_epr_common_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dielectric_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/mt_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' mt_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_spline_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_spline_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dirichlet_bc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_derivative_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dirichlet_bc_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_nonloc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_nonloc.F qs_dispersion_nonloc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/mt_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' mt_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kg_vertex_coloring_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kg_vertex_coloring_methods.F kg_vertex_coloring_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_nonloc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_nonloc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_epr_common_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_nmr_epr_common_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_vertex_coloring_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_vertex_coloring_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_nmr_epr_common_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_nmr_epr_common_utils.F qs_linres_nmr_epr_common_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_derivative_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_nonloc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_nonloc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_vertex_coloring_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_vertex_coloring_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_epr_common_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_nmr_epr_common_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dielectric_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_derivative_types.mod' due to: target does not exist @@ -7003,12 +7039,10 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_implicit_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_types.F ps_implicit_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/cp_linked_list_xc_deriv.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' cp_linked_list_xc_deriv.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/cp_linked_list_xc_deriv.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' cp_linked_list_xc_deriv.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_implicit_types.F90 /build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_implicit_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mt_util.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_wf_history_types.o' due to: target does not exist @@ -7018,7 +7052,9 @@ 54 | $:inst(nametype1, type1, type1in, type1out, eq, arrayeq, type1arrayEl, arrayEl, private_routines, default_init) | ^ Warning: 'cp_sll_deriv_less_q' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_wf_history_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target '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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_wf_history_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_linked_list_xc_deriv.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_derivative_set_types.o' due to: target does not exist @@ -7043,16 +7079,22 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_set_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_derivative_set_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_set_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_derivative_set_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_implicit_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_poisson_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_poisson_types.F pw_poisson_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_poisson_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_poisson_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_wf_history_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_derivative_set_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_vertex_coloring_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rs_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dielectric_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dielectric_methods.F dielectric_methods.F90 /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_nonloc.F:842:68: 842 | h_prefactor(i_grid) = h_prefactor(i_grid) + prefactor @@ -7063,18 +7105,12 @@ 751 | dq_6, e, f, P, prefactor, tmp_1_2, & | ^ note: 'prefactor' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_vertex_coloring_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rs_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dielectric_methods.F90 /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_nonloc.F:589:61: 589 | REAL(KIND=dp) :: g, g2, g2_last, g_multiplier, gm | ^ Warning: 'g' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dielectric_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dielectric_methods.F dielectric_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dielectric_methods.F90 /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_nonloc.F:1042:105: 1042 | dq0_dgradrho(i_grid) = total_rho(i_grid)*dq0_dq*2.0_dp*(-Z_ab)/(36.0_dp*kF*total_rho(i_grid)**2) @@ -7107,111 +7143,70 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw_poisson_read_input.F pw_poisson_read_input.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_env_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw_env/pw_env_types.F pw_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dirichlet_bc_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pair_potential_coulomb.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pair_potential_coulomb.F pair_potential_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dirichlet_bc_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_poisson_read_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pw_poisson_read_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_rho0_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dg_rho0_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/pw_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw_env/' pw_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pair_potential_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_rho0_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dg_rho0_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_poisson_read_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pw_poisson_read_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/pw_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw_env/' pw_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pair_potential_coulomb.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dg_rho0_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dg_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dg_types.F dg_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_test.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_unittest.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_unittest.F dbt_unittest.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_api.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_api.F dbt_api.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pair_potential_coulomb.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dg_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_unittest.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_api.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dg_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dg_types.F dg_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dg_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_env_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_qmmm_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_qmmm_types.F qs_ks_qmmm_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_gaussian_init.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_init.F qmmm_gaussian_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gaussian_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_qmmm_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dg_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_types.F semi_empirical_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_qmmm_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gaussian_init.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_nonloc.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a" -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_api.mod' due to: target does not exist -true -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a dbt_types.o dbt_test.o dbt_split.o dbt_reshape_ops.o dbt_methods.o dbt_io.o dbt_index.o dbt_block.o dbt_array_list_methods.o dbt_api.o dbt_allocate_wrap.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tensors_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F qs_tensors_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_types.F xas_tdp_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tensors_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_qmmm_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gaussian_init.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dielectric_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/semi_empirical_types.F:457:26: 457 | SUBROUTINE set_se_param(sep, name, typ, defined, z, zeff, natorb, eheat, & | ^ Warning: 'set_se_param' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dielectric_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_nonloc.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gaussian_init.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_poisson_read_input.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F:219:13: - - 219 | IF (dist1_prv(iatom, 1) == mp_coor(1)) nparticle_local_row(ikind) = nparticle_local_row(ikind) + 1 - | ^ -Warning: 'mp_coor[0]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F:176:67: - - 176 | INTEGER, DIMENSION(2) :: mp_coor, mp_dims - | ^ -note: 'mp_coor[0]' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F:220:13: - - 220 | IF (dist2_prv(iatom, 1) == mp_coor(2)) nparticle_local_col(ikind) = nparticle_local_col(ikind) + 1 - | ^ -Warning: 'mp_coor[1]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F:176:67: - - 176 | INTEGER, DIMENSION(2) :: mp_coor, mp_dims - | ^ -note: 'mp_coor[1]' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_test.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_par_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_par_utils.F semi_empirical_par_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int3_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int3_utils.F semi_empirical_int3_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_gks.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_gks.F semi_empirical_int_gks.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tensors_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'post_scf_bandstructure_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_types.F post_scf_bandstructure_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_par_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_par_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int3_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int3_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_gw_ic.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_gw_ic.F rpa_gw_ic.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_gks.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_gks.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' post_scf_bandstructure_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_ic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw_ic.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_unittest.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_unittest.F dbt_unittest.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_api.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_api.F dbt_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_par_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_par_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int3_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int3_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_unittest.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_gks.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_gks.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_api.F90 /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int3_utils.F:118:32: 118 | add = (pij + pkl)**2 @@ -7234,8 +7229,6 @@ note: 'pkl' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int3_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_utils.F semi_empirical_int_utils.F90 /build/reproducible-path/cp2k-2025.1/src/semi_empirical_par_utils.F:978:13: 978 | IF (f1 < f2) THEN @@ -7256,43 +7249,32 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_utils.F semi_empirical_int_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_api.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/pw/dirichlet_bc_methods.F:898:13: - - 898 | IF (h .GT. MINVAL((/Lx, Lz/))) THEN - | ^ -Warning: 'h' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dirichlet_bc_methods.F:813:89: - - 813 | REAL(dp) :: cntrlaxis_lb, cntrlaxis_ub, h, Lx, Ly, & - | ^ -note: 'h' was declared here +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a dbt_types.o dbt_test.o dbt_split.o dbt_reshape_ops.o dbt_methods.o dbt_io.o dbt_index.o dbt_block.o dbt_array_list_methods.o dbt_api.o dbt_allocate_wrap.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kdbt.a +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tensors_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F qs_tensors_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_types.F xas_tdp_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tensors_types.F90 /build/reproducible-path/cp2k-2025.1/src/semi_empirical_par_utils.F:278:13: 278 | IF (n < 0) THEN | ^ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_types.F90 /build/reproducible-path/cp2k-2025.1/src/semi_empirical_par_utils.F:254:42: 254 | FUNCTION get_se_basis(sep, l) RESULT(n) | ^ note: 'n' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_par_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_mpole_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_mpole_methods.F semi_empirical_mpole_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_parameters.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_parameters.F semi_empirical_parameters.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_mpole_methods.F90 -/build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:170: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_parameters.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_parameters.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_mpole_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_gw_ic.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/pw/pw_spline_utils.F:919:19: 919 | IF (idirVal == 0) THEN @@ -7303,13 +7285,28 @@ 903 | INTEGER :: i, idirVal, j, k | ^ note: 'idirval' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dirichlet_bc_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_par_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_mpole_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_mpole_methods.F semi_empirical_mpole_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_parameters.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_parameters.F semi_empirical_parameters.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_parameters.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_parameters.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:00:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_mpole_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_mpole_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_implicit_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F ps_implicit_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:47 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_implicit_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_spline_utils.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/pw/dirichlet_bc_methods.F:898:13: + + 898 | IF (h .GT. MINVAL((/Lx, Lz/))) THEN + | ^ +Warning: 'h' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dirichlet_bc_methods.F:813:89: + + 813 | REAL(dp) :: cntrlaxis_lb, cntrlaxis_ub, h, Lx, Ly, & + | ^ +note: 'h' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_poisson.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_poisson.F input_cp2k_poisson.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_ddapc_methods.o' due to: target does not exist @@ -7318,6 +7315,57 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_util.F xc_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_spline_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw_env/cp_spline_utils.F cp_spline_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_poisson.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_poisson.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/cp_spline_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw_env/' cp_spline_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_spline_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rs_pw_interface.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw_env/rs_pw_interface.F rs_pw_interface.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_rho_set_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_rho_set_types.F xc_rho_set_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/rs_pw_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw_env/' rs_pw_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_set_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_rho_set_types.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F:219:13: + + 219 | IF (dist1_prv(iatom, 1) == mp_coor(1)) nparticle_local_row(ikind) = nparticle_local_row(ikind) + 1 + | ^ +Warning: 'mp_coor[0]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F:176:67: + + 176 | INTEGER, DIMENSION(2) :: mp_coor, mp_dims + | ^ +note: 'mp_coor[0]' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F:220:13: + + 220 | IF (dist2_prv(iatom, 1) == mp_coor(2)) nparticle_local_col(ikind) = nparticle_local_col(ikind) + 1 + | ^ +Warning: 'mp_coor[1]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F:176:67: + + 176 | INTEGER, DIMENSION(2) :: mp_coor, mp_dims + | ^ +note: 'mp_coor[1]' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rs_pw_interface.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a rs_pw_interface.o pw_env_types.o gaussian_gridlevels.o cp_spline_utils.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tensors_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'post_scf_bandstructure_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_types.F post_scf_bandstructure_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_gw_ic.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_gw_ic.F rpa_gw_ic.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dirichlet_bc_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_implicit_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F ps_implicit_methods.F90 /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_utils.F:315:38: 315 | add = (pij + pkl)**2 @@ -7348,9 +7396,10 @@ 244 | iscreen, shortrange, pc_coulomb_int, max_multipole, itype, eval) 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:47 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_poisson.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_poisson.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:47 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:47 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_gks.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' post_scf_bandstructure_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_ic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw_ic.F90 /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_utils.F:1215:38: 1215 | add = (pij + pkl)**2 @@ -7381,42 +7430,45 @@ 1144 | iscreen, shortrange, pc_coulomb_int, max_multipole, itype, eval) 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:47 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/cp_spline_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw_env/' cp_spline_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_gks.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_rho_set_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_rho_set_types.F xc_rho_set_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_spline_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rs_pw_interface.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw_env/rs_pw_interface.F rs_pw_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_set_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_rho_set_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/rs_pw_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw_env/' rs_pw_interface.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rs_pw_interface.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a rs_pw_interface.o pw_env_types.o gaussian_gridlevels.o cp_spline_utils.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw_env.a -/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:965:92: - - 965 | CALL ps_implicit_report_ehartree(ps_implicit_env, outp_unit, ehartree/vol_scfac) - | ^ -Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:777:86: - - 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_implicit_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_poisson.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_environment_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewald_environment_types.F ewald_environment_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_mm.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_mm.F input_cp2k_mm.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_mm.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_rho_set_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kpp1_env_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_kpp1_env_types.F qs_kpp1_env_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_b97.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_b97.F xc_b97.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kpp1_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_b97.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_cs1.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_cs1.F xc_cs1.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_cs1.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_cs1.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_exchange_gga.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_exchange_gga.F xc_exchange_gga.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_hcth.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_hcth.F xc_hcth.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_exchange_gga.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_exchange_gga.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_hcth.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_hcth.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_ke_gga.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_ke_gga.F xc_ke_gga.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_ke_gga.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_ke_gga.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_libxc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_libxc.F xc_libxc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_lyp.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_lyp.F xc_lyp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_libxc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_lyp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_lyp_adiabatic.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_lyp_adiabatic.F xc_lyp_adiabatic.F90 /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_utils.F:1918:48: 1918 | ca_d = (x11_d*sqb - x11*sqb_d)*sqb2i @@ -7512,40 +7564,7 @@ 1700 | pt5sq3, r2i, s2a, s2b, sa, sb, sb2, & | ^ note: 'sb2' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_rho_set_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kpp1_env_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_kpp1_env_types.F qs_kpp1_env_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_b97.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_b97.F xc_b97.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_cs1.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_cs1.F xc_cs1.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_environment_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_exchange_gga.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_exchange_gga.F xc_exchange_gga.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_mm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_b97.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kpp1_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_cs1.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_cs1.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_exchange_gga.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_exchange_gga.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_hcth.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_hcth.F xc_hcth.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_ke_gga.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_ke_gga.F xc_ke_gga.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_hcth.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_hcth.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_ke_gga.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_ke_gga.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_libxc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_libxc.F xc_libxc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_lyp.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_lyp.F xc_lyp.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_lyp_adiabatic.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_lyp_adiabatic.F xc_lyp_adiabatic.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:50 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp_adiabatic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_lyp_adiabatic.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:50 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_lyp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_libxc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_optx.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_optx.F xc_optx.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:50 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_optx.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_optx.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp_adiabatic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_lyp_adiabatic.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_lyp_adiabatic.F:557:43: 557 | t132 = 0.40e1_dp*t1*t129*t10 @@ -8036,38 +8055,124 @@ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: 't96' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_pade.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_pade.F xc_pade.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_pbe.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F xc_pbe.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:50 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pade.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_pade.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:50 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pbe.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_pbe.F90 -/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:434:57: +/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:965:92: - 434 | ps_implicit_env%ehartree = ehartree/vol_scfac - | ^ + 965 | CALL ps_implicit_report_ehartree(ps_implicit_env, outp_unit, ehartree/vol_scfac) + | ^ Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:339:69: +/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:777:86: - 339 | vol_scfac - | ^ + 777 | pres_error, tol, vol_scfac + | ^ note: 'vol_scfac' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_optx.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_optx.F xc_optx.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_pade.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_pade.F xc_pade.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_optx.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_optx.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pade.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_pade.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_pbe.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F xc_pbe.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_perdew_zunger.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F xc_perdew_zunger.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pbe.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_pbe.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_zunger.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_perdew_zunger.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_perdew_wang.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F xc_perdew_wang.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:50 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_zunger.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_perdew_zunger.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:51 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_wang.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_perdew_wang.F90 -/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:1214:87: +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_tfw.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_tfw.F xc_tfw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_wang.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_perdew_wang.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tfw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_tfw.F90 +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:703:74: - 1214 | CALL pw_scale(pw_in, 1.0_dp/(vol_scfac*tile_volume)) ! normalize tile_pw - | ^ -Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:1101:82: + 703 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) + | ^ +Warning: 'trrr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:613:78: - 1101 | REAL(dp) :: tile_volume, vol_scfac - | ^ -note: 'vol_scfac' was declared here + 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trrr' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:695:58: + + 695 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) + | ^ +Warning: 'trrz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:613:84: + + 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trrz' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:703:74: + + 703 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) + | ^ +Warning: 'trzz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:613:95: + + 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trzz' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:717:62: + + 717 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) + | ^ +Warning: 'tzzz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:614:69: + + 614 | tzz, tzzz + | ^ +note: 'tzzz' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:672:41: + + 672 | ed(m + 1) = tr*r(1) + tz*z(0, 1) + | ^ +Warning: 'tr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:613:67: + + 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'tr' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:672:41: + + 672 | ed(m + 1) = tr*r(1) + tz*z(0, 1) + | ^ +Warning: 'tz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:613:99: + + 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'tz' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:682:65: + + 682 | + tr*r(2) + tzz*z(1, 0)*z(0, 1) + tz*z(1, 1) + | ^ +Warning: 'trr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:613:72: + + 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trr' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:679:56: + + 679 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) + | ^ +Warning: 'trz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:613:89: + + 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^ +note: 'trz' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:685:60: + + 685 | + tr*r(2) + tzz*z(0, 1)**2 + tz*z(0, 2) + | ^ +Warning: 'tzz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:614:63: + + 614 | tzz, tzzz + | ^ +note: 'tzz' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:540:29: 540 | t78 = beta*t77 @@ -8098,9 +8203,6 @@ 427 | kfrhorhorho, mu, my_norm_drho, my_rho, p_1, p_2, rs, rs2rho, rsrho, rsrhorho, & | ^ note: 'mu' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_tfw.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_tfw.F xc_tfw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:51 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tfw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_tfw.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:669:65: 669 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) @@ -8193,110 +8295,32 @@ note: 'tzz' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_thomas_fermi.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_thomas_fermi.F xc_thomas_fermi.F90 -/build/reproducible-path/cp2k-2025.1/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: 'trrr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:613:78: - - 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trrr' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:695:58: - - 695 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) - | ^ -Warning: 'trrz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:613:84: - - 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trrz' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:703:74: - - 703 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) - | ^ -Warning: 'trzz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:613:95: - - 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trzz' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:717:62: - - 717 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) - | ^ -Warning: 'tzzz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:614:69: - - 614 | tzz, tzzz - | ^ -note: 'tzzz' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:672:41: - - 672 | ed(m + 1) = tr*r(1) + tz*z(0, 1) - | ^ -Warning: 'tr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:613:67: - - 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'tr' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:672:41: - - 672 | ed(m + 1) = tr*r(1) + tz*z(0, 1) - | ^ -Warning: 'tz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:613:99: - - 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'tz' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:682:65: - - 682 | + tr*r(2) + tzz*z(1, 0)*z(0, 1) + tz*z(1, 1) - | ^ -Warning: 'trr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:613:72: - - 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trr' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:679:56: - - 679 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) - | ^ -Warning: 'trz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:613:89: - - 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^ -note: 'trz' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:685:60: - - 685 | + tr*r(2) + tzz*z(0, 1)**2 + tz*z(0, 2) - | ^ -Warning: 'tzz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:614:63: - - 614 | tzz, tzzz - | ^ -note: 'tzz' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_tpss.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_tpss.F xc_tpss.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:51 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_thomas_fermi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_thomas_fermi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_thomas_fermi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_thomas_fermi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:11 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tpss.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_tpss.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_vwn.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F xc_vwn.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:51 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tpss.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_tpss.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:11 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_vwn.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_vwn.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xalpha.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xalpha.F xc_xalpha.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:51 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_vwn.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_vwn.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:434:57: + + 434 | ps_implicit_env%ehartree = ehartree/vol_scfac + | ^ +Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:339:69: + + 339 | vol_scfac + | ^ +note: 'vol_scfac' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xbecke88.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88.F xc_xbecke88.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xalpha.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xalpha.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:11 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xalpha.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xalpha.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:12 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbecke88.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xbecke88_long_range.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F xc_xbecke88_long_range.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:12 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_long_range.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbecke88_long_range.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1684:31: 1684 | t101 = beta*t100 @@ -8327,12 +8351,9 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbecke88.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_long_range.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbecke88_long_range.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xbecke88_lr_adiabatic.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F xc_xbecke88_lr_adiabatic.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xbecke_roussel.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F xc_xbecke_roussel.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:12 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_lr_adiabatic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbecke88_lr_adiabatic.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:813:82: 813 | t121 - t24*(t134*t10 + 0.3177280975e0_dp*t137*t121)*t38) @@ -10353,8 +10374,16 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke_roussel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbecke_roussel.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_lr_adiabatic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbecke88_lr_adiabatic.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:1214:87: + + 1214 | CALL pw_scale(pw_in, 1.0_dp/(vol_scfac*tile_volume)) ! normalize tile_pw + | ^ +Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:1101:82: + + 1101 | REAL(dp) :: tile_volume, vol_scfac + | ^ +note: 'vol_scfac' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:418:69: 418 | t117*t118*t172 + 0.3333333334e0_dp*t36*t38*t196 @@ -12475,14 +12504,6 @@ 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & | ^ note: 't590' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xbeef.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F xc_xbeef.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbeef.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbeef.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xlda_hole_t_c_lr.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F xc_xlda_hole_t_c_lr.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xpbe_hole_t_c_lr.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F xc_xpbe_hole_t_c_lr.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xlda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xlda_hole_t_c_lr.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1398:31: 1398 | t133 = t3 - t132 @@ -15443,7 +15464,6 @@ 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & | ^ note: 't607' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xpbe_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xpbe_hole_t_c_lr.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 @@ -16544,3151 +16564,95 @@ 1290 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 | ^ note: 't834' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:290:79: - - 290 | e_ndrho(ii) = e_ndrho(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx - | ^ -Warning: 'ds_ndrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:228:68: +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xbecke_roussel.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F xc_xbecke_roussel.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke_roussel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbecke_roussel.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xbeef.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F xc_xbeef.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xlda_hole_t_c_lr.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F xc_xlda_hole_t_c_lr.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbeef.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbeef.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xpbe_hole_t_c_lr.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F xc_xpbe_hole_t_c_lr.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xlda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xlda_hole_t_c_lr.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xwpbe.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F xc_xwpbe.F90 +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1184:69: - 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^ -note: 'ds_ndrho' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:289:99: + 1184 | t117*t118*t172 + 0.3333333334e0_dp*t36*t38*t196 + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1035:72: - 289 | e_rho(ii) = e_rho(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx - | ^ -Warning: 'ds_rho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:228:76: + 1035 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & + | ^ +note: 't1' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1125:31: - 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^ -note: 'ds_rho' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:289:99: + 1125 | t84 = 1 + t5*t10 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1035:77: - 289 | e_rho(ii) = e_rho(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx - | ^ -Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:228:80: + 1035 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & + | ^ +note: 't10' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1174:59: - 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^ -note: 'dt' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2453:35: + 1174 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1036:70: - 2453 | t274 = t101*t104*t108*t110 - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:37: + 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^ +note: 't11' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1172:67: - 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2455:30: + 1172 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1037:79: - 2455 | t280 = t102*t103*t108 - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:43: + 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & + | ^ +note: 't12' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1121:27: - 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2455:30: + 1121 | t75 = t16**2 + | ^ +Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:44: - 2455 | t280 = t102*t103*t108 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:49: + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't16' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1120:28: - 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2453:35: + 1120 | t72 = t71*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:61: - 2453 | t274 = t101*t104*t108*t110 - | ^ -Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:55: + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1174:59: - 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't104' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2457:25: + 1174 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169 + | ^ +Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:90: - 2457 | t287 = t105/t285 - | ^ -Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:61: + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^ +note: 't18' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1344:29: - 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't105' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2456:23: - - 2456 | t285 = t106**2 - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:67: - - 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2455:30: - - 2455 | t280 = t102*t103*t108 - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:73: - - 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2579:26: - - 2579 | *t110*t275 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:79: - - 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2579:26: - - 2579 | *t110*t275 - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:85: - - 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2462:42: - - 2462 | *t110*t275 - t109*t112/t26 - | ^ -Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:97: - - 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't112' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2451:34: - - 2451 | t270 = 0.1e1_dp/t115/t114 - | ^ -Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:13: - - 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't114' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2451:34: - - 2451 | t270 = 0.1e1_dp/t115/t114 - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:19: - - 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2478:36: - - 2478 | - 0.4e1_dp*t337*t131 - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:25: - - 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2590:36: - - 2590 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:31: - - 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2570:25: - - 2570 | t615 = t614*t118 - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:37: - - 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2433:24: - - 2433 | t229 = t228*t12 - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:48: - - 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't12' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2590:36: - - 2590 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:54: - - 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't121' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2590:36: - - 2590 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:60: - - 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't123' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2590:36: - - 2590 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:66: - - 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't124' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2579:26: - - 2579 | *t110*t275 - | ^ -Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:72: - - 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't125' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2590:36: - - 2590 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:78: - - 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't126' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2590:36: - - 2590 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't128' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:84: - - 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't128' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2462:42: - - 2462 | *t110*t275 - t109*t112/t26 - | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:89: - - 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & - | ^ -note: 't13' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2590:36: - - 2590 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2282:13: - - 2282 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & - | ^ -note: 't131' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2481:76: - - 2481 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2282:19: - - 2282 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & - | ^ -note: 't133' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2592:66: - - 2592 | *t271*t650/0.24e2_dp)*sx - | ^ -Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2282:25: - - 2282 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & - | ^ -note: 't134' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2481:76: - - 2481 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx - | ^ -Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2282:31: - - 2282 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & - | ^ -note: 't136' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2592:66: - - 2592 | *t271*t650/0.24e2_dp)*sx - | ^ -Warning: 't138' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2282:37: - - 2282 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & - | ^ -note: 't138' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2410:49: - - 2410 | *t4*t144*t19 - t175*t151/0.8e1_dp - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2283:48: - - 2283 | t179, t180, t182, t184, t185, t187, t19, t190, t192, t193, t2, t20, t201, t205, t206, & - | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2410:49: - - 2410 | *t4*t144*t19 - t175*t151/0.8e1_dp - | ^ -Warning: 't20' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2283:75: - - 2283 | t179, t180, t182, t184, t185, t187, t19, t190, t192, t193, t2, t20, t201, t205, t206, & - | ^ -note: 't20' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2462:42: - - 2462 | *t110*t275 - t109*t112/t26 - | ^ -Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2285:34: - - 2285 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & - | ^ -note: 't26' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2449:25: - - 2449 | t224*t229 - | ^ -Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2285:51: - - 2285 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & - | ^ -note: 't27' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2527:23: - - 2527 | t492 = t28*t57 - | ^ -Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2285:80: - - 2285 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & - | ^ -note: 't28' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2431:32: - - 2431 | t227 = 0.1e1_dp/t65/t29 - | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2286:18: - - 2286 | t287, t29, t292, t294, t3, t30, t302, t305, t308, t31, t310, t315 - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2418:25: - - 2418 | t192 = t30*gamma - | ^ -Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2286:39: - - 2286 | t287, t29, t292, t294, t3, t30, t302, t305, t308, t31, t310, t315 - | ^ -note: 't30' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2400:28: - - 2400 | t154 = 0.1e1_dp/t35 - | ^ -Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2287:74: - - 2287 | REAL(KIND=dp) :: t318, t319, t330, t333, t336, t337, t340, t348, t35, t353, t356, t357, t36, & - | ^ -note: 't35' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2524:31: - - 2524 | - t36*t37*gamma - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2287:97: - - 2287 | REAL(KIND=dp) :: t318, t319, t330, t333, t336, t337, t340, t348, t35, t353, t356, t357, t36, & - | ^ -note: 't36' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2524:31: - - 2524 | - t36*t37*gamma - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2288:30: - - 2288 | t365, t366, t368, t37, t371, t375, t379, t383, t387, t390, t392, t393, t4, t41, t410, & - | ^ -note: 't37' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2411:28: - - 2411 | t179 = 0.1e1_dp/t41 - | ^ -Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2288:87: - - 2288 | t365, t366, t368, t37, t371, t375, t379, t383, t387, t390, t392, t393, t4, t41, t410, & - | ^ -note: 't41' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2466:21: - - 2466 | t310 = R*t43 - | ^ -Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2289:35: - - 2289 | t413, t42, t426, t428, t43, t433, t436, t439, t44, t445, t45, t46, t461, t462, t465, & - | ^ -note: 't43' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2416:22: - - 2416 | t187 = t7*t45 - | ^ -Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2289:69: - - 2289 | t413, t42, t426, t428, t43, t433, t436, t439, t44, t445, t45, t46, t461, t462, t465, & - | ^ -note: 't45' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2501:58: - - 2501 | *t383 - 0.80e2_dp/0.729e3_dp*t94*t220*t387 - | ^ -Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2291:58: - - 2291 | t508, t510, t511, t52, t523, t526, t53, t539, t54, t541, t546, t549, t55, t552, t558, & - | ^ -note: 't54' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2529:23: - - 2529 | t496 = t55*t66 - | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2291:81: - - 2291 | t508, t510, t511, t52, t523, t526, t53, t539, t54, t541, t546, t549, t55, t552, t558, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2404:25: - - 2404 | t163 = t57*gamma - | ^ -Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2292:12: - - 2292 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & - | ^ -note: 't57' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2403:22: - - 2403 | t161 = t6*rho - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2292:51: - - 2292 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2430:22: - - 2430 | t224 = t6*t63 - | ^ -Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2292:96: - - 2292 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & - | ^ -note: 't63' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2531:23: - - 2531 | t500 = t64*t76 - | ^ -Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2293:18: - - 2293 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 - | ^ -note: 't64' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2431:32: - - 2431 | t227 = 0.1e1_dp/t65/t29 - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2293:35: - - 2293 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 - | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2421:25: - - 2421 | t205 = t66*gamma - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2293:58: - - 2293 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 - | ^ -note: 't66' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2501:58: - - 2501 | *t383 - 0.80e2_dp/0.729e3_dp*t94*t220*t387 - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2294:37: - - 2294 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2533:24: - - 2533 | t504 = t74*t227 - | ^ -Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2294:57: - - 2294 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ -note: 't74' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2426:25: - - 2426 | t215 = t76*gamma - | ^ -Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2294:62: - - 2294 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ -note: 't76' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2563:34: - - 2563 | + t36*t37/0.4e1_dp - | ^ -Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2294:71: - - 2294 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ -note: 't8' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2565:29: - - 2565 | t600 = t598*t80*t184 - | ^ -Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2294:76: - - 2294 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ -note: 't80' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2468:24: - - 2468 | t318 = t123*t81 - | ^ -Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2294:81: - - 2294 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & - | ^ -note: 't81' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2563:34: - - 2563 | + t36*t37/0.4e1_dp - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2295:11: - - 2295 | t9, t91, t94, t97, t98, t99 - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2583:24: - - 2583 | t662 = t612*t98 - | ^ -Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2295:31: - - 2295 | t9, t91, t94, t97, t98, t99 - | ^ -note: 't98' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2590:36: - - 2590 | - 0.4e1_dp*t679*t131 - | ^ -Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2295:36: - - 2295 | t9, t91, t94, t97, t98, t99 - | ^ -note: 't99' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2100:35: - - 2100 | t272 = t101*t104*t108*t110 - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:37: - - 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2102:30: - - 2102 | t278 = t102*t103*t108 - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:43: - - 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2102:30: - - 2102 | t278 = t102*t103*t108 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:49: - - 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2100:35: - - 2100 | t272 = t101*t104*t108*t110 - | ^ -Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:55: - - 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't104' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2104:25: - - 2104 | t285 = t105/t283 - | ^ -Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:61: - - 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't105' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2103:23: - - 2103 | t283 = t106**2 - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:67: - - 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2102:30: - - 2102 | t278 = t102*t103*t108 - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:73: - - 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2233:26: - - 2233 | *t110*t273 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:79: - - 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2233:26: - - 2233 | *t110*t273 - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:85: - - 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2107:42: - - 2107 | *t110*t273 - t109*t112/t26 - | ^ -Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:97: - - 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & - | ^ -note: 't112' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2099:45: - - 2099 | t269 = REAL(t100, KIND=dp)/t115/t114 - | ^ -Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:13: - - 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't114' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2099:45: - - 2099 | t269 = REAL(t100, KIND=dp)/t115/t114 - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:19: - - 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2128:56: - - 2128 | - t139*t269*t297/0.24e2_dp)*sx - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:25: - - 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2097:27: - - 2097 | t265 = t117*R*t257 - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:31: - - 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2236:69: - - 2236 | t655 = (t601 + t614 - t627 - t629 - t630 + t633 + t653)*t121 - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:37: - - 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2078:24: - - 2078 | t225 = t224*t12 - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:48: - - 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't12' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2237:25: - - 2237 | t658 = t121*t599 - | ^ -Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:54: - - 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't121' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: - - 2247 | /0.3e1_dp - | ^ -Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:60: - - 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't123' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2233:26: - - 2233 | *t110*t273 - | ^ -Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:66: - - 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't124' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: - - 2247 | /0.3e1_dp - | ^ -Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:72: - - 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't125' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: - - 2247 | /0.3e1_dp - | ^ -Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:78: - - 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't129' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2107:42: - - 2107 | *t110*t273 - t109*t112/t26 - | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:83: - - 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't13' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2241:25: - - 2241 | t677 = t132*t599 - | ^ -Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:89: - - 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't132' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: - - 2247 | /0.3e1_dp - | ^ -Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:95: - - 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & - | ^ -note: 't134' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: - - 2247 | /0.3e1_dp - | ^ -Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1931:13: - - 1931 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & - | ^ -note: 't135' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2128:56: - - 2128 | - t139*t269*t297/0.24e2_dp)*sx - | ^ -Warning: 't138' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1931:19: - - 1931 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & - | ^ -note: 't138' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2128:56: - - 2128 | - t139*t269*t297/0.24e2_dp)*sx - | ^ -Warning: 't139' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1931:25: - - 1931 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & - | ^ -note: 't139' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2057:49: - - 2057 | *t4*t145*t19 - t176*t152/0.8e1_dp - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1932:42: - - 1932 | t182, t183, t186, t188, t189, t19, t197, t2, t20, t201, t202, t205, t206, t209, t211, & - | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2057:49: - - 2057 | *t4*t145*t19 - t176*t152/0.8e1_dp - | ^ -Warning: 't20' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1932:57: - - 1932 | t182, t183, t186, t188, t189, t19, t197, t2, t20, t201, t202, t205, t206, t209, t211, & - | ^ -note: 't20' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2107:42: - - 2107 | *t110*t273 - t109*t112/t26 - | ^ -Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1934:12: - - 1934 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & - | ^ -note: 't26' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2092:25: - - 2092 | t220*t225 - | ^ -Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1934:53: - - 1934 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & - | ^ -note: 't27' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2177:23: - - 2177 | t490 = t28*t57 - | ^ -Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1934:76: - - 1934 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & - | ^ -note: 't28' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2076:32: - - 2076 | t223 = 0.1e1_dp/t65/t29 - | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1934:93: - - 1934 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2063:25: - - 2063 | t188 = t30*gamma - | ^ -Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1935:28: - - 1935 | t297, t299, t3, t30, t301, t303, t306, t307, t308, t31, t310, t312 - | ^ -note: 't30' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2047:28: - - 2047 | t155 = 0.1e1_dp/t35 - | ^ -Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1936:62: - - 1936 | REAL(KIND=dp) :: t313, t321, t326, t329, t339, t343, t35, t351, t354, t355, t36, t363, t364, & - | ^ -note: 't35' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2174:31: - - 2174 | - t36*t37*gamma - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1936:85: - - 1936 | REAL(KIND=dp) :: t313, t321, t326, t329, t339, t343, t35, t351, t354, t355, t36, t363, t364, & - | ^ -note: 't36' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2174:31: - - 2174 | - t36*t37*gamma - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1937:24: - - 1937 | t365, t367, t37, t371, t375, t379, t383, t386, t388, t4, t404, t406, t408, t409, t41, & - | ^ -note: 't37' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2058:28: - - 2058 | t180 = 0.1e1_dp/t41 - | ^ -Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1937:93: - - 1937 | t365, t367, t37, t371, t375, t379, t383, t386, t388, t4, t404, t406, t408, t409, t41, & - | ^ -note: 't41' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2222:28: - - 2222 | t614 = t43*t612*t98 - | ^ -Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1938:35: - - 1938 | t411, t412, t42, t428, t43, t430, t432, t434, t437, t439, t44, t441, t45, t453, t456, & - | ^ -note: 't43' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2061:22: - - 2061 | t183 = t7*t45 - | ^ -Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1938:81: - - 1938 | t411, t412, t42, t428, t43, t430, t432, t434, t437, t439, t44, t441, t45, t453, t456, & - | ^ -note: 't45' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2147:58: - - 2147 | *t379 - 0.80e2_dp/0.729e3_dp*t94*t216*t383 - | ^ -Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1940:82: - - 1940 | t502, t503, t506, t508, t519, t52, t521, t523, t524, t526, t527, t53, t54, t543, t545, & - | ^ -note: 't54' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2179:23: - - 2179 | t494 = t55*t66 - | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1941:24: - - 1941 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2051:25: - - 2051 | t164 = t57*gamma - | ^ -Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1941:53: - - 1941 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & - | ^ -note: 't57' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2050:22: - - 2050 | t162 = t6*rho - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1941:80: - - 1941 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2075:22: - - 2075 | t220 = t6*t63 - | ^ -Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1942:47: - - 1942 | t612, t614, t62, t625, t627, t629, t63, t630, t632, t633, t64, t649 - | ^ -note: 't63' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2181:23: - - 2181 | t498 = t64*t76 - | ^ -Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1942:70: - - 1942 | t612, t614, t62, t625, t627, t629, t63, t630, t632, t633, t64, t649 - | ^ -note: 't64' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2076:32: - - 2076 | t223 = 0.1e1_dp/t65/t29 - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1943:26: - - 1943 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & - | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2066:25: - - 2066 | t201 = t66*gamma - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1943:55: - - 1943 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & - | ^ -note: 't66' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2147:58: - - 2147 | *t379 - 0.80e2_dp/0.729e3_dp*t94*t216*t383 - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1943:94: - - 1943 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & - | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2183:24: - - 2183 | t502 = t74*t223 - | ^ -Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:27: - - 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't74' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2071:25: - - 2071 | t211 = t76*gamma - | ^ -Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:32: - - 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't76' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2216:34: - - 2216 | + t36*t37/0.4e1_dp - | ^ -Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:41: - - 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't8' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2227:29: - - 2227 | t629 = t600*t80*t129 - | ^ -Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:46: - - 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't80' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: - - 2247 | /0.3e1_dp - | ^ -Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:51: - - 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't81' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2216:34: - - 2216 | + t36*t37/0.4e1_dp - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:70: - - 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2238:24: - - 2238 | t660 = t612*t98 - | ^ -Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:90: - - 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't98' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: - - 2247 | /0.3e1_dp - | ^ -Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:95: - - 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 - | ^ -note: 't99' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:489:89: - - 489 | e_ndrho_spin(ii) = e_ndrho_spin(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx - | ^ -Warning: 'ds_ndrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:425:68: - - 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^ -note: 'ds_ndrho' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:488:109: - - 488 | e_rho_spin(ii) = e_rho_spin(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx - | ^ -Warning: 'ds_rho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:425:76: - - 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^ -note: 'ds_rho' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:488:109: - - 488 | e_rho_spin(ii) = e_rho_spin(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx - | ^ -Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:425:80: - - 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^ -note: 'dt' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xwpbe.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F xc_xwpbe.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_implicit_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_environment_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_mm.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xwpbe.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xwpbe.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_ddapc_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: - - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:242:62: - - 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & - | ^ -note: 't1' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: - - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:242:72: - - 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & - | ^ -note: 't14' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: - - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:242:77: - - 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & - | ^ -note: 't15' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: - - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:242:86: - - 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & - | ^ -note: 't2' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: - - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:243:68: - - 243 | t24, t25, t3, t32, t33, t36, t4, t41, & - | ^ -note: 't25' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: - - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:243:77: - - 243 | t24, t25, t3, t32, t33, t36, t4, t41, & - | ^ -note: 't32' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: - - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:67: - - 244 | t46, t5, t6, t62, t64, t67, t68, t7, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: - - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:71: - - 244 | t46, t5, t6, t62, t64, t67, t68, t7, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: - - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:86: - - 244 | t46, t5, t6, t62, t64, t67, t68, t7, & - | ^ -note: 't67' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: - - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:91: - - 244 | t46, t5, t6, t62, t64, t67, t68, t7, & - | ^ -note: 't68' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: - - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:95: - - 244 | t46, t5, t6, t62, t64, t67, t68, t7, & - | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: - - 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:245:72: - - 245 | t82, t86, t9, t91, t95 - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kpp1_env_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'post_scf_bandstructure_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_nonbond_force.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F fist_nonbond_force.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_b97.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1669:86: - - 1669 | t256)*t95*t237 - t94*t97/t29 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:30: - - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't10' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1657:33: - - 1657 | t232 = 0.1e1_dp/t100/t99 - | ^ -Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:36: - - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't100' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1762:25: - - 1762 | t525 = t143*t101 - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:42: - - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: - - 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:48: - - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1781:25: - - 1781 | t581 = t580*t103 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:54: - - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1796:37: - - 1796 | /0.3e1_dp*t626)*t106 - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:66: - - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: - - 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:72: - - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: - - 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:78: - - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1757:86: - - 1757 | t468 + t506)*t95*t237 - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:84: - - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1685:36: - - 1685 | - 0.4e1_dp*t299*t116 - | ^ -Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:90: - - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't111' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: - - 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:96: - - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^ -note: 't113' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: - - 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:19: - - 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1688:76: - - 1688 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:25: - - 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1807:66: - - 1807 | *t233*t623/0.24e2_dp)*sx - | ^ -Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:31: - - 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^ -note: 't119' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1688:76: - - 1688 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx - | ^ -Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:37: - - 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^ -note: 't121' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1807:66: - - 1807 | *t233*t623/0.24e2_dp)*sx - | ^ -Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:43: - - 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^ -note: 't123' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1611:22: - - 1611 | t128 = t5*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1505:71: - - 1505 | t146, t153, t154, t157, t159, t16, t160, t163, t167, t168, t17, t171, t172, t175, t177, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1617:42: - - 1617 | t140 = 0.1e1_dp/(0.1e1_dp + t138) - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1506:93: - - 1506 | t178, t18, t182, t183, t186, t189, t190, t191, t194, t196, t197, t199, t2, t200, t21, & - | ^ -note: 't21' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1673:21: - - 1673 | t272 = R*t23 - | ^ -Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1507:29: - - 1507 | t22, t226, t229, t23, t232, t233, t234, t235, t237, t24, t242, t247, t249, t254, t256, & - | ^ -note: 't23' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1669:86: - - 1669 | t256)*t95*t237 - t94*t97/t29 - | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1508:64: - - 1508 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1655:25: - - 1655 | t186*t191 - | ^ -Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1508:97: - - 1508 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & - | ^ -note: 't30' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1734:23: - - 1734 | t450 = t31*t42 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1509:18: - - 1509 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 - | ^ -note: 't31' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1637:32: - - 1637 | t189 = 0.1e1_dp/t50/t32 - | ^ -Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1509:53: - - 1509 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 - | ^ -note: 't32' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1613:25: - - 1613 | t133 = t33*gamma - | ^ -Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1509:70: - - 1509 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 - | ^ -note: 't33' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1704:58: - - 1704 | *t332 - 0.80e2_dp/0.729e3_dp*t79*t182*t336 - | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:24: - - 1511 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & - | ^ -note: 't39' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1623:22: - - 1623 | t157 = t4*rho - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:46: - - 1511 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & - | ^ -note: 't4' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1736:23: - - 1736 | t454 = t40*t51 - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:51: - - 1511 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & - | ^ -note: 't40' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1624:25: - - 1624 | t159 = t42*gamma - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:74: - - 1511 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & - | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1636:22: - - 1636 | t186 = t4*t48 - | ^ -Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:35: - - 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^ -note: 't48' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1738:23: - - 1738 | t458 = t49*t61 - | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:58: - - 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^ -note: 't49' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1793:88: - - 1793 | - t580 + t618)*t95*t237 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:62: - - 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1637:32: - - 1637 | t189 = 0.1e1_dp/t50/t32 - | ^ -Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:67: - - 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^ -note: 't50' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1627:25: - - 1627 | t167 = t51*gamma - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:90: - - 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1740:24: - - 1740 | t462 = t59*t189 - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1515:29: - - 1515 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & - | ^ -note: 't59' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1786:21: - - 1786 | t612 = t3*t6 - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1515:45: - - 1515 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1632:25: - - 1632 | t177 = t61*gamma - | ^ -Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1515:50: - - 1515 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & - | ^ -note: 't61' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: - - 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1516:24: - - 1516 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 - | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1675:24: - - 1675 | t280 = t108*t66 - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1516:53: - - 1516 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 - | ^ -note: 't66' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1797:24: - - 1797 | t638 = t578*t83 - | ^ -Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:36: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't83' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: - - 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:41: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1659:23: - - 1659 | t234 = t86*t89 - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:51: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1662:27: - - 1662 | t242 = t87*t88*t93 - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:56: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1662:27: - - 1662 | t242 = t87*t88*t93 - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:61: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't88' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1659:23: - - 1659 | t234 = t86*t89 - | ^ -Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:66: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't89' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1639:23: - - 1639 | t191 = t190*t9 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:70: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1664:24: - - 1664 | t249 = t90/t247 - | ^ -Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:75: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't90' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1663:22: - - 1663 | t247 = t91**2 - | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:80: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't91' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1713:46: - - 1713 | (-t385 - t341 + t387)*t95*t237 - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:85: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't93' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1793:88: - - 1793 | - t580 + t618)*t95*t237 - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:90: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't94' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1793:88: - - 1793 | - t580 + t618)*t95*t237 - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:95: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1713:46: - - 1713 | (-t385 - t341 + t387)*t95*t237 - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1518:17: - - 1518 | t96, t97, t99 - | ^ -note: 't97' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1657:33: - - 1657 | t232 = 0.1e1_dp/t100/t99 - | ^ -Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1518:22: - - 1518 | t96, t97, t99 - | ^ -note: 't99' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1328:86: - - 1328 | t221)*t95*t235 - t94*t97/t29 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:30: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't10' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1319:43: - - 1319 | t231 = REAL(t85, KIND=dp)/t100/t99 - | ^ -Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:36: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't100' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1349:56: - - 1349 | - t124*t231*t259/0.24e2_dp)*sx - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:42: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1317:27: - - 1317 | t227 = t102*R*t219 - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:48: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1460:69: - - 1460 | t634 = (t574 + t587 - t600 - t605 - t606 + t609 + t632)*t106 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:54: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1460:69: - - 1460 | t634 = (t574 + t587 - t600 - t605 - t606 + t609 + t632)*t106 - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:66: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - - 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:72: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1422:86: - - 1422 | t477 + t490)*t95*t235 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:78: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - - 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:84: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - - 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:90: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't114' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1464:70: - - 1464 | t655 = (-t574 - t587 + t600 - t605 - t606 + t609 + t632)*t117 - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:96: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - - 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1166:13: - - 1166 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & - | ^ -note: 't119' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - - 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't120' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1166:19: - - 1166 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & - | ^ -note: 't120' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1349:56: - - 1349 | - t124*t231*t259/0.24e2_dp)*sx - | ^ -Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1166:25: - - 1166 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & - | ^ -note: 't123' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1349:56: - - 1349 | - t124*t231*t259/0.24e2_dp)*sx - | ^ -Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1166:31: - - 1166 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & - | ^ -note: 't124' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_cs1.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1271:22: - - 1271 | t129 = t5*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1167:65: - - 1167 | t153, t155, t156, t159, t16, t163, t164, t167, t168, t17, t171, t173, t174, t178, t179, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1277:42: - - 1277 | t141 = 0.1e1_dp/(0.1e1_dp + t139) - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1168:63: - - 1168 | t18, t182, t185, t186, t187, t190, t192, t193, t2, t21, t219, t22, t221, t223, t224, & - | ^ -note: 't21' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1446:28: - - 1446 | t587 = t23*t585*t83 - | ^ -Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1169:30: - - 1169 | t225, t227, t228, t23, t231, t232, t233, t235, t24, t240, t245, t247, t259, t261, t263, & - | ^ -note: 't23' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1328:86: - - 1328 | t221)*t95*t235 - t94*t97/t29 - | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1170:76: - - 1170 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1312:25: - - 1312 | t182*t187 - | ^ -Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1170:91: - - 1170 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & - | ^ -note: 't30' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1399:23: - - 1399 | t459 = t31*t42 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1171:18: - - 1171 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 - | ^ -note: 't31' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1296:32: - - 1296 | t185 = 0.1e1_dp/t50/t32 - | ^ -Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1171:53: - - 1171 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 - | ^ -note: 't32' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1273:25: - - 1273 | t134 = t33*gamma - | ^ -Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:86: - - 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & - | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:92: - - 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:959:23: - - 959 | t183 = t12*t11 - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:97: - - 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & - | ^ -note: 't11' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:13: - - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't110' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:19: - - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't113' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:25: - - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:37: - - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:43: - - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't119' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:993:28: - - 993 | t272 = t268/t12/t13 - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:48: - - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't12' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:54: - - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't122' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:66: - - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't126' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:72: - - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't127' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:981:24: - - 981 | t229 = t13*t225 - | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:83: - - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't13' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:89: - - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't130' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:95: - - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^ -note: 't133' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:13: - - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't135' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't138' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:19: - - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't138' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1055:53: - - 1055 | t498 = 2*t172*t40*t225 + t14*t236 - t14*t496 - | ^ -Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:24: - - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't14' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:30: - - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't140' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:36: - - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't142' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:42: - - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't143' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:48: - - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't146' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1003:34: - - 1003 | t307 = 0.1e1_dp/t305*t150 - | ^ -Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:54: - - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't150' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:60: - - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't151' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't152' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:66: - - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't152' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:72: - - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't155' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't158' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:78: - - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't158' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1008:22: - - 1008 | t330 = g4*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:89: - - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:982:24: - - 982 | t232 = t19*t225 - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:845:72: - - 845 | t172, t173, t174, t178, t179, t180, t183, t184, t185, t188, t19, t190, t191, t192, t193, & - | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1028:23: - - 1028 | t461 = t74*t21 - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:846:46: - - 846 | t196, t197, t2, t200, t204, t207, t21, t211, t212, t213, t217, t22, t221, t225, t229, & - | ^ -note: 't21' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:979:54: - - 979 | *t41 - 0.9e1_dp/0.4e1_dp*t22*t221*t204 - | ^ -Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:846:75: - - 846 | t196, t197, t2, t200, t204, t207, t21, t211, t212, t213, t217, t22, t221, t225, t229, & - | ^ -note: 't22' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1022:23: - - 1022 | t406 = t25*t31 - | ^ -Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:847:42: - - 847 | t232, t235, t236, t242, t248, t25, t264, t268, t27, t272, t276, t278, t280, t287, t289, & - | ^ -note: 't25' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:985:24: - - 985 | t242 = t27*t225 - | ^ -Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:847:59: - - 847 | t232, t235, t236, t242, t248, t25, t264, t268, t27, t272, t276, t278, t280, t287, t289, & - | ^ -note: 't27' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:970:59: - - 970 | t204 = 4*t193*t185 + 5*t196*t197 + 6*t200*t31*t174 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:848:51: - - 848 | t29, t292, t297, t299, t3, t305, t307, t31, t317, t320, t324 - | ^ -note: 't31' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:996:45: - - 996 | t280 = 0.1e1_dp/t21*t33*t276*t1*t278 - | ^ -Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:32: - - 849 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & - | ^ -note: 't33' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:61: - - 849 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & - | ^ -note: 't34' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:78: - - 849 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & - | ^ -note: 't35' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:12: - - 850 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & - | ^ -note: 't37' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:17: - - 850 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & - | ^ -note: 't38' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:990:27: - - 990 | *t37*t248 - | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:28: - - 850 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & - | ^ -note: 't39' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:55: - - 850 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & - | ^ -note: 't40' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:12: - - 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & - | ^ -note: 't44' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:17: - - 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & - | ^ -note: 't45' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:972:47: - - 972 | t211 = 0.2e1_dp/0.3e1_dp*t50*t93*t7*t4 - | ^ -Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:66: - - 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & - | ^ -note: 't50' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1001:28: - - 1001 | t299 = 0.1e1_dp/t51 - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:71: - - 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & - | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:82: - - 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & - | ^ -note: 't52' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1002:22: - - 1002 | t305 = t56**2 - | ^ -Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:40: - - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^ -note: 't56' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:51: - - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^ -note: 't58' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:67: - - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:82: - - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^ -note: 't64' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:87: - - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:91: - - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1028:23: - - 1028 | t461 = t74*t21 - | ^ -Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:96: - - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^ -note: 't74' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:12: - - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't75' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1060:38: - - 1060 | t531 = F1*t235*t34 - t77*t529 - | ^ -Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:17: - - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't77' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1025:23: - - 1025 | t415 = t79*t21 - | ^ -Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:22: - - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't79' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:31: - - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't81' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:36: - - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't83' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:41: - - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1014:32: - - 1014 | t352 = 0.1e1_dp/t85/t33 - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:46: - - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't85' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:51: - - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:56: - - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't89' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:61: - - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't91' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:66: - - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't93' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - - 1052 | Clda)*sx - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:81: - - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^ -note: 't97' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75: - - 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) - | ^ -Warning: 'p' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:24: - - 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & - | ^ -note: 'p' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75: - - 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) - | ^ -Warning: 'q' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:41: - - 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & - | ^ -note: 'q' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1000:25: - - 1000 | t297 = EXP(-t53) - | ^ -Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:18: - - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^ -note: 't53' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1171:70: - - 1171 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 - | ^ -note: 't33' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1365:58: - - 1365 | *t331 - 0.80e2_dp/0.729e3_dp*t79*t178*t335 - | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1173:34: - - 1173 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & - | ^ -note: 't39' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1282:22: - - 1282 | t153 = t4*rho - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1173:68: - - 1173 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & - | ^ -note: 't4' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1401:23: - - 1401 | t463 = t40*t51 - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1173:73: - - 1173 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & - | ^ -note: 't40' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1283:25: - - 1283 | t155 = t42*gamma - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1174:18: - - 1174 | t414, t42, t423, t426, t43, t434, t443, t450, t455, t456, t459, t46, t460, t463, t464, & - | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1295:22: - - 1295 | t182 = t4*t48 - | ^ -Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1175:53: - - 1175 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & - | ^ -note: 't48' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1403:23: - - 1403 | t467 = t49*t61 - | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1175:64: - - 1175 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & - | ^ -note: 't49' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1457:88: - - 1457 | - t587 + t600)*t95*t235 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1176:17: - - 1176 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1296:32: - - 1296 | t185 = 0.1e1_dp/t50/t32 - | ^ -Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1176:22: - - 1176 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & - | ^ -note: 't50' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1286:25: - - 1286 | t163 = t51*gamma - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1176:27: - - 1176 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & - | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1405:24: - - 1405 | t471 = t59*t185 - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1177:63: - - 1177 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & - | ^ -note: 't59' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1442:35: - - 1442 | t574 = t3*t6*t572/0.9e1_dp - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1177:73: - - 1177 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1291:25: - - 1291 | t173 = t61*gamma - | ^ -Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1178:18: - - 1178 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 - | ^ -note: 't61' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1385:35: - - 1385 | t414 = ndrho*t141*t65*t114 - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1178:70: - - 1178 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 - | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - - 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:26: - - 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't66' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1461:24: - - 1461 | t639 = t585*t83 - | ^ -Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:67: - - 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't83' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - - 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:72: - - 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_exchange_gga.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1320:23: - - 1320 | t232 = t86*t89 - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:82: - - 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1323:27: - - 1323 | t240 = t87*t88*t93 - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:87: - - 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1323:27: - - 1323 | t240 = t87*t88*t93 - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:92: - - 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't88' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1320:23: - - 1320 | t232 = t86*t89 - | ^ -Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:97: - - 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^ -note: 't89' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1298:23: - - 1298 | t187 = t186*t9 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:11: - - 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1325:24: - - 1325 | t247 = t90/t245 - | ^ -Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:16: - - 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't90' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1324:22: - - 1324 | t245 = t91**2 - | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:21: - - 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't91' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1375:50: - - 1375 | t94*(-t317 - t340 + t358)*t95*t235 - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:26: - - 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't93' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1457:88: - - 1457 | - t587 + t600)*t95*t235 - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:31: - - 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't94' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1457:88: - - 1457 | - t587 + t600)*t95*t235 - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:36: - - 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1375:50: - - 1375 | t94*(-t317 - t340 + t358)*t95*t235 - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:46: - - 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't97' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1319:43: - - 1319 | t231 = REAL(t85, KIND=dp)/t100/t99 - | ^ -Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:51: - - 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^ -note: 't99' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_hcth.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_ke_gga.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1184:69: - - 1184 | t117*t118*t172 + 0.3333333334e0_dp*t36*t38*t196 - | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1035:72: - - 1035 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & - | ^ -note: 't1' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1125:31: - - 1125 | t84 = 1 + t5*t10 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1035:77: - - 1035 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & - | ^ -note: 't10' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1174:59: - - 1174 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169 - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1036:70: - - 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^ -note: 't11' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1172:67: - - 1172 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1037:79: - - 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & - | ^ -note: 't12' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1121:27: - - 1121 | t75 = t16**2 - | ^ -Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:44: - - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't16' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1120:28: - - 1120 | t72 = t71*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:61: - - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1174:59: - - 1174 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169 - | ^ -Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:90: - - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^ -note: 't18' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1344:29: - - 1344 | t576 = t2*t501 - | ^ -Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:29: + 1344 | t576 = t2*t501 + | ^ +Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:29: 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 | ^ @@ -19738,7 +16702,6 @@ 1139 | t105 = t28*t104 | ^ Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_libxc.mod' due to: target does not exist /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:12: 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & @@ -19749,7 +16712,6 @@ 1144 | t116 = omega*t29 | ^ Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:41: 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & @@ -20280,6 +17242,7 @@ 1329 | - 0.20e1_dp*t6*t526 | ^ Warning: 't169' 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xpbe_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xpbe_hole_t_c_lr.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:56: 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & @@ -20330,8 +17293,6 @@ 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 | ^ Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_lyp.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:13: 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 @@ -20687,8 +17648,6 @@ 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & | ^ note: 't237' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_lyp_adiabatic.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: 1440 | *t244*ndrho/t657/t7*t669) @@ -21264,13 +18223,11 @@ 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) | ^ Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_optx.mod' due to: target does not exist /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:94: 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & | ^ note: 't435' was declared here -true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) @@ -21741,911 +18698,7 @@ 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & | ^ note: 't590' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_pade.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_nonbond_force.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_pbe.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_perdew_zunger.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_perdew_wang.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_tfw.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_thomas_fermi.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_tpss.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xalpha.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbeef.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xlda_hole_t_c_lr.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:647:49: - - 647 | - 0.9e1_dp/0.4e1_dp*t22*t265*t248 - | ^ -Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:47: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^ -note: 't14' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:690:42: - - 690 | *(t262 - t235*t41*t248)) - | ^ -Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:489:67: - - 489 | REAL(KIND=dp) :: t717, t720, t723, t73, t739, t758, t762, t77, t8, t800, t803, t808, t85, & - | ^ -note: 't77' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:699:33: - - 699 | t445 = 0.1e1_dp/t117/t33 - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:66: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75: - - 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) - | ^ -Warning: 'p' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:475:24: - - 475 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t103, t104, & - | ^ -note: 'p' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75: - - 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) - | ^ -Warning: 'q' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:475:41: - - 475 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t103, t104, & - | ^ -note: 'q' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:18: - - 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 - | ^ -note: 't64' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:484:44: - - 484 | t38, t382, t385, t39, t393, t4, t40, t401, t402, t404, t405, t409, t41, t42, t420, t421, & - | ^ -note: 't40' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:13: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^ -note: 't125' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:483:81: - - 483 | t33, t331, t334, t339, t34, t341, t347, t349, t35, t359, t362, t368, t37, t370, t373, & - | ^ -note: 't37' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:25: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^ -note: 't129' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:59: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^ -note: 't142' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:42: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^ -note: 't136' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't163' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:31: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^ -note: 't163' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:37: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^ -note: 't164' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:54: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:36: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^ -note: 't195' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:718:29: - - 718 | t581 = t64*t118*t103 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:475:86: - - 475 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t103, t104, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:720:25: - - 720 | t603 = t437*t105 - | ^ -Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:13: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^ -note: 't105' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:661:30: - - 661 | t314 = t312*t106*t107 - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:19: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:702:25: - - 702 | t473 = t424*t107 - | ^ -Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:25: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^ -note: 't107' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:704:30: - - 704 | t479 = t108*t429*t331 - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:31: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^ -note: 't108' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:37: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:675:23: - - 675 | t373 = t73*t11 - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:42: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^ -note: 't11' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:48: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^ -note: 't113' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:723:25: - - 723 | t612 = t429*t116 - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:60: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:72: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: - - 773 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:83: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^ -note: 't12' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:89: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^ -note: 't121' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:95: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^ -note: 't123' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: - - 773 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:30: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^ -note: 't13' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:36: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^ -note: 't133' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:53: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^ -note: 't140' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:65: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^ -note: 't143' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:71: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^ -note: 't144' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:77: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^ -note: 't147' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:83: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^ -note: 't150' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't152' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:89: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^ -note: 't152' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:95: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^ -note: 't155' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:13: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^ -note: 't156' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:19: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^ -note: 't159' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't167' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:43: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^ -note: 't167' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:635:22: - - 635 | t240 = a4*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:48: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't170' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:54: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^ -note: 't170' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:60: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^ -note: 't173' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:66: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^ -note: 't175' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:72: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^ -note: 't176' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:78: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^ -note: 't177' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:84: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^ -note: 't178' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't181' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:90: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^ -note: 't181' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:96: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^ -note: 't183' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:13: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^ -note: 't187' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:698:24: - - 698 | t437 = t227*t19 - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:18: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:24: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^ -note: 't190' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:670:34: - - 670 | t349 = 0.1e1_dp/t347*t194 - | ^ -Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:30: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^ -note: 't194' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:42: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^ -note: 't196' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:48: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^ -note: 't199' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:58: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^ -note: 't202' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:709:24: - - 709 | t504 = t429*t21 - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:69: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^ -note: 't21' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:647:49: - - 647 | - 0.9e1_dp/0.4e1_dp*t22*t265*t248 - | ^ -Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:480:12: - - 480 | t22, t222, t223, t224, t227, t228, t229, t232, t234, t235, t236, t237, t240, t244, t248, & - | ^ -note: 't22' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:714:25: - - 714 | t533 = t25*t31*C - | ^ -Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:481:12: - - 481 | t25, t251, t255, t256, t257, t261, t262, t265, t269, t27, t273, t276 - | ^ -note: 't25' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:637:63: - - 637 | t248 = 4*t237*t229 + 5*t240*t27*t218 + 6*t244*t31*t218 - | ^ -Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:481:65: - - 481 | t25, t251, t255, t256, t257, t261, t262, t265, t269, t27, t273, t276 - | ^ -note: 't27' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:714:25: - - 714 | t533 = t25*t31*C - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:482:65: - - 482 | REAL(KIND=dp) :: t279, t280, t281, t29, t292, t3, t308, t31, t312, t314, t318, t320, t322, & - | ^ -note: 't31' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:699:33: - - 699 | t445 = 0.1e1_dp/t117/t33 - | ^ -Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:483:12: - - 483 | t33, t331, t334, t339, t34, t341, t347, t349, t35, t359, t362, t368, t37, t370, t373, & - | ^ -note: 't33' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:483:35: - - 483 | t33, t331, t334, t339, t34, t341, t347, t349, t35, t359, t362, t368, t37, t370, t373, & - | ^ -note: 't34' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:483:58: - - 483 | t33, t331, t334, t339, t34, t341, t347, t349, t35, t359, t362, t368, t37, t370, t373, & - | ^ -note: 't35' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:484:12: - - 484 | t38, t382, t385, t39, t393, t4, t40, t401, t402, t404, t405, t409, t41, t42, t420, t421, & - | ^ -note: 't38' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:658:27: - - 658 | *t37*t292 - | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:484:29: - - 484 | t38, t382, t385, t39, t393, t4, t40, t401, t402, t404, t405, t409, t41, t42, t420, t421, & - | ^ -note: 't39' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:485:54: - - 485 | t424, t425, t426, t429, t430, t431, t437, t44, t445, t446, t45, t451, t46, t473, t475, & - | ^ -note: 't44' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:485:71: - - 485 | t424, t425, t426, t429, t430, t431, t437, t44, t445, t446, t45, t451, t46, t473, t475, & - | ^ -note: 't45' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:639:48: - - 639 | t255 = 0.2e1_dp/0.3e1_dp*t50*t125*t7*t4 - | ^ -Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:45: - - 486 | t479, t48, t484, t497, t498, t5, t50, t503, t504, t51, t517, t52, t523, t524, t527, t53, & - | ^ -note: 't50' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: - - 773 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:62: - - 486 | t479, t48, t484, t497, t498, t5, t50, t503, t504, t51, t517, t52, t523, t524, t527, t53, & - | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:73: - - 486 | t479, t48, t484, t497, t498, t5, t50, t503, t504, t51, t517, t52, t523, t524, t527, t53, & - | ^ -note: 't52' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:695:23: - - 695 | t429 = t86*t56 - | ^ -Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:487:35: - - 487 | t533, t534, t54, t541, t56, t568, t57, t58, t581, t590, t6, t60, t603, t604, t61, t611, & - | ^ -note: 't56' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:487:51: - - 487 | t533, t534, t54, t541, t56, t568, t57, t58, t581, t590, t6, t60, t603, t604, t61, t611, & - | ^ -note: 't58' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:487:67: - - 487 | t533, t534, t54, t541, t56, t568, t57, t58, t581, t590, t6, t60, t603, t604, t61, t611, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:29: - - 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 - | ^ -note: 't65' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:62: - - 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 - | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:766:38: - - 766 | t677 = F1*t279*t34 - t71*t675 - | ^ -Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:67: - - 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 - | ^ -note: 't71' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:716:23: - - 716 | t541 = t73*t21 - | ^ -Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:489:44: - - 489 | REAL(KIND=dp) :: t717, t720, t723, t73, t739, t758, t762, t77, t8, t800, t803, t808, t85, & - | ^ -note: 't73' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:690:42: - - 690 | *(t262 - t235*t41*t248)) - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:489:94: - - 489 | REAL(KIND=dp) :: t717, t720, t723, t73, t739, t758, t762, t77, t8, t800, t803, t808, t85, & - | ^ -note: 't85' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:695:23: - - 695 | t429 = t86*t56 - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:12: - - 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:703:29: - - 703 | t475 = t473*t87*t218 - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:17: - - 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 - | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: - - 773 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:22: - - 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 - | ^ -note: 't88' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: - - 773 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:37: - - 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 - | ^ -note: 't93' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:690:42: - - 690 | *(t262 - t235*t41*t248)) - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:42: - - 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 - | ^ -note: 't94' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: - - 773 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:47: - - 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 - | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: - - 773 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:57: - - 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 - | ^ -note: 't99' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:667:25: - - 667 | t339 = EXP(-t53) - | ^ -Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:96: - - 486 | t479, t48, t484, t497, t498, t5, t50, t503, t504, t51, t517, t52, t523, t524, t527, t53, & - | ^ -note: 't53' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_num.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_num.F semi_empirical_int_num.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_tb.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_tb.F input_cp2k_tb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xwpbe.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xwpbe.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:594:39: 594 | t306 = 0.1e1_dp/t10/t224 @@ -23241,11 +19294,131 @@ 778 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709 | ^ Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:80: 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & | ^ note: 't200' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:242:62: + + 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & + | ^ +note: 't1' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:242:72: + + 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & + | ^ +note: 't14' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:242:77: + + 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & + | ^ +note: 't15' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:242:86: + + 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & + | ^ +note: 't2' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:243:68: + + 243 | t24, t25, t3, t32, t33, t36, t4, t41, & + | ^ +note: 't25' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:243:77: + + 243 | t24, t25, t3, t32, t33, t36, t4, t41, & + | ^ +note: 't32' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:67: + + 244 | t46, t5, t6, t62, t64, t67, t68, t7, & + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:71: + + 244 | t46, t5, t6, t62, t64, t67, t68, t7, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:86: + + 244 | t46, t5, t6, t62, t64, t67, t68, t7, & + | ^ +note: 't67' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:91: + + 244 | t46, t5, t6, t62, t64, t67, t68, t7, & + | ^ +note: 't68' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:95: + + 244 | t46, t5, t6, t62, t64, t67, t68, t7, & + | ^ +note: 't7' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: + + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:245:72: + + 245 | t82, t86, t9, t91, t95 + | ^ +note: 't9' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:667:30: 667 | t466 = t27*t203 @@ -24986,7 +21159,6 @@ 356 | t5256, t526, t5262, t527, t5270, t5271, t5276, t5280, t5281, t5284 | ^ note: 't526' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:54 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_tb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_tb.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34: 1692 | *t503*t2312 @@ -25497,7 +21669,6 @@ 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^ note: 't722' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_num.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_num.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1276:51: 1276 | t1794 = 0.1000000001e1_dp*t723*t1712 @@ -26478,9 +22649,14 @@ 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & | ^ note: 't1443' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2411:88: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2453:35: - 2411 | + t5525 + 0.80e1_dp*t5528 + t5531 + t5533 + t5535 + t5537 + t5540 + 2453 | t274 = t101*t104*t108*t110 + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2411:88: + + 2411 | + t5525 + 0.80e1_dp*t5528 + t5531 + t5533 + t5535 + t5537 + t5540 | ^ Warning: 't1444' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:14: @@ -26548,6 +22724,21 @@ 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & | ^ note: 't1483' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:37: + + 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't101' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2455:30: + + 2455 | t280 = t102*t103*t108 + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:43: + + 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't102' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2172:57: 2172 | t4887 = 0.1800000000e2_dp*t473*t1493*t4729 @@ -26558,6 +22749,16 @@ 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & | ^ note: 't1493' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2455:30: + + 2455 | t280 = t102*t103*t108 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:49: + + 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't103' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2175:39: 2175 | t4895 = t478*t1500*t4729 @@ -26798,6 +22999,816 @@ 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & | ^ note: 't1582' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2453:35: + + 2453 | t274 = t101*t104*t108*t110 + | ^ +Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:55: + + 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't104' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2457:25: + + 2457 | t287 = t105/t285 + | ^ +Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:61: + + 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't105' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2456:23: + + 2456 | t285 = t106**2 + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:67: + + 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2455:30: + + 2455 | t280 = t102*t103*t108 + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:73: + + 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2579:26: + + 2579 | *t110*t275 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:79: + + 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2579:26: + + 2579 | *t110*t275 + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:85: + + 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2462:42: + + 2462 | *t110*t275 - t109*t112/t26 + | ^ +Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2280:97: + + 2280 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't112' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2451:34: + + 2451 | t270 = 0.1e1_dp/t115/t114 + | ^ +Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:13: + + 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't114' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2451:34: + + 2451 | t270 = 0.1e1_dp/t115/t114 + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:19: + + 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't115' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2478:36: + + 2478 | - 0.4e1_dp*t337*t131 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:25: + + 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't116' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2590:36: + + 2590 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:31: + + 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2570:25: + + 2570 | t615 = t614*t118 + | ^ +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:37: + + 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't118' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2433:24: + + 2433 | t229 = t228*t12 + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:48: + + 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't12' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2590:36: + + 2590 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:54: + + 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't121' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2590:36: + + 2590 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:60: + + 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't123' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2590:36: + + 2590 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:66: + + 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't124' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2579:26: + + 2579 | *t110*t275 + | ^ +Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:72: + + 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't125' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2590:36: + + 2590 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:78: + + 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't126' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2590:36: + + 2590 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't128' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:84: + + 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't128' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2462:42: + + 2462 | *t110*t275 - t109*t112/t26 + | ^ +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2281:89: + + 2281 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t126, t128, t13, t130, & + | ^ +note: 't13' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2590:36: + + 2590 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2282:13: + + 2282 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & + | ^ +note: 't131' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2481:76: + + 2481 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx + | ^ +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2282:19: + + 2282 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & + | ^ +note: 't133' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2592:66: + + 2592 | *t271*t650/0.24e2_dp)*sx + | ^ +Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2282:25: + + 2282 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & + | ^ +note: 't134' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2481:76: + + 2481 | *t337*t138/0.8e1_dp - t348*t271*t302/0.24e2_dp)*sx + | ^ +Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2282:31: + + 2282 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & + | ^ +note: 't136' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2592:66: + + 2592 | *t271*t650/0.24e2_dp)*sx + | ^ +Warning: 't138' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2282:37: + + 2282 | t131, t133, t134, t136, t138, t144, t151, t154, t157, t158, t161, t163, t164, t175, t178, & + | ^ +note: 't138' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2410:49: + + 2410 | *t4*t144*t19 - t175*t151/0.8e1_dp + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2283:48: + + 2283 | t179, t180, t182, t184, t185, t187, t19, t190, t192, t193, t2, t20, t201, t205, t206, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2410:49: + + 2410 | *t4*t144*t19 - t175*t151/0.8e1_dp + | ^ +Warning: 't20' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2283:75: + + 2283 | t179, t180, t182, t184, t185, t187, t19, t190, t192, t193, t2, t20, t201, t205, t206, & + | ^ +note: 't20' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2462:42: + + 2462 | *t110*t275 - t109*t112/t26 + | ^ +Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2285:34: + + 2285 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & + | ^ +note: 't26' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2449:25: + + 2449 | t224*t229 + | ^ +Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2285:51: + + 2285 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & + | ^ +note: 't27' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2527:23: + + 2527 | t492 = t28*t57 + | ^ +Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2285:80: + + 2285 | t237, t238, t24, t25, t26, t264, t267, t27, t270, t271, t274, t275, t28, t280, t285, & + | ^ +note: 't28' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2431:32: + + 2431 | t227 = 0.1e1_dp/t65/t29 + | ^ +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2286:18: + + 2286 | t287, t29, t292, t294, t3, t30, t302, t305, t308, t31, t310, t315 + | ^ +note: 't29' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2418:25: + + 2418 | t192 = t30*gamma + | ^ +Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2286:39: + + 2286 | t287, t29, t292, t294, t3, t30, t302, t305, t308, t31, t310, t315 + | ^ +note: 't30' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2400:28: + + 2400 | t154 = 0.1e1_dp/t35 + | ^ +Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2287:74: + + 2287 | REAL(KIND=dp) :: t318, t319, t330, t333, t336, t337, t340, t348, t35, t353, t356, t357, t36, & + | ^ +note: 't35' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2524:31: + + 2524 | - t36*t37*gamma + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2287:97: + + 2287 | REAL(KIND=dp) :: t318, t319, t330, t333, t336, t337, t340, t348, t35, t353, t356, t357, t36, & + | ^ +note: 't36' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2524:31: + + 2524 | - t36*t37*gamma + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2288:30: + + 2288 | t365, t366, t368, t37, t371, t375, t379, t383, t387, t390, t392, t393, t4, t41, t410, & + | ^ +note: 't37' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2411:28: + + 2411 | t179 = 0.1e1_dp/t41 + | ^ +Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2288:87: + + 2288 | t365, t366, t368, t37, t371, t375, t379, t383, t387, t390, t392, t393, t4, t41, t410, & + | ^ +note: 't41' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2466:21: + + 2466 | t310 = R*t43 + | ^ +Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2289:35: + + 2289 | t413, t42, t426, t428, t43, t433, t436, t439, t44, t445, t45, t46, t461, t462, t465, & + | ^ +note: 't43' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2416:22: + + 2416 | t187 = t7*t45 + | ^ +Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2289:69: + + 2289 | t413, t42, t426, t428, t43, t433, t436, t439, t44, t445, t45, t46, t461, t462, t465, & + | ^ +note: 't45' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2501:58: + + 2501 | *t383 - 0.80e2_dp/0.729e3_dp*t94*t220*t387 + | ^ +Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2291:58: + + 2291 | t508, t510, t511, t52, t523, t526, t53, t539, t54, t541, t546, t549, t55, t552, t558, & + | ^ +note: 't54' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2529:23: + + 2529 | t496 = t55*t66 + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2291:81: + + 2291 | t508, t510, t511, t52, t523, t526, t53, t539, t54, t541, t546, t549, t55, t552, t558, & + | ^ +note: 't55' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2404:25: + + 2404 | t163 = t57*gamma + | ^ +Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2292:12: + + 2292 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & + | ^ +note: 't57' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2403:22: + + 2403 | t161 = t6*rho + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2292:51: + + 2292 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2430:22: + + 2430 | t224 = t6*t63 + | ^ +Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2292:96: + + 2292 | t57, t574, t575, t578, t58, t597, t598, t6, t600, t61, t612, t614, t615, t62, t627, t63, & + | ^ +note: 't63' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2531:23: + + 2531 | t500 = t64*t76 + | ^ +Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2293:18: + + 2293 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 + | ^ +note: 't64' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2431:32: + + 2431 | t227 = 0.1e1_dp/t65/t29 + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2293:35: + + 2293 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2421:25: + + 2421 | t205 = t66*gamma + | ^ +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2293:58: + + 2293 | t630, t64, t643, t645, t65, t650, t653, t656, t66, t662, t67, t678 + | ^ +note: 't66' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2501:58: + + 2501 | *t383 - 0.80e2_dp/0.729e3_dp*t94*t220*t387 + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2294:37: + + 2294 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ +note: 't7' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2533:24: + + 2533 | t504 = t74*t227 + | ^ +Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2294:57: + + 2294 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ +note: 't74' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2426:25: + + 2426 | t215 = t76*gamma + | ^ +Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2294:62: + + 2294 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ +note: 't76' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2563:34: + + 2563 | + t36*t37/0.4e1_dp + | ^ +Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2294:71: + + 2294 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ +note: 't8' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2565:29: + + 2565 | t600 = t598*t80*t184 + | ^ +Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2294:76: + + 2294 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ +note: 't80' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2468:24: + + 2468 | t318 = t123*t81 + | ^ +Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2294:81: + + 2294 | REAL(KIND=dp) :: t679, t682, t7, t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, & + | ^ +note: 't81' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2563:34: + + 2563 | + t36*t37/0.4e1_dp + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2295:11: + + 2295 | t9, t91, t94, t97, t98, t99 + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2583:24: + + 2583 | t662 = t612*t98 + | ^ +Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2295:31: + + 2295 | t9, t91, t94, t97, t98, t99 + | ^ +note: 't98' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2590:36: + + 2590 | - 0.4e1_dp*t679*t131 + | ^ +Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2295:36: + + 2295 | t9, t91, t94, t97, t98, t99 + | ^ +note: 't99' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2100:35: + + 2100 | t272 = t101*t104*t108*t110 + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:37: + + 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't101' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2102:30: + + 2102 | t278 = t102*t103*t108 + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:43: + + 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2102:30: + + 2102 | t278 = t102*t103*t108 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:49: + + 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2100:35: + + 2100 | t272 = t101*t104*t108*t110 + | ^ +Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:55: + + 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't104' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2104:25: + + 2104 | t285 = t105/t283 + | ^ +Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:61: + + 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't105' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2103:23: + + 2103 | t283 = t106**2 + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:67: + + 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2102:30: + + 2102 | t278 = t102*t103*t108 + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:73: + + 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2233:26: + + 2233 | *t110*t273 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:79: + + 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2233:26: + + 2233 | *t110*t273 + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:85: + + 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2107:42: + + 2107 | *t110*t273 - t109*t112/t26 + | ^ +Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:97: + + 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & + | ^ +note: 't112' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2099:45: + + 2099 | t269 = REAL(t100, KIND=dp)/t115/t114 + | ^ +Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:13: + + 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't114' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2099:45: + + 2099 | t269 = REAL(t100, KIND=dp)/t115/t114 + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:19: + + 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't115' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2128:56: + + 2128 | - t139*t269*t297/0.24e2_dp)*sx + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:25: + + 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't116' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2097:27: + + 2097 | t265 = t117*R*t257 + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:31: + + 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2236:69: + + 2236 | t655 = (t601 + t614 - t627 - t629 - t630 + t633 + t653)*t121 + | ^ +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:37: + + 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't118' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2078:24: + + 2078 | t225 = t224*t12 + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:48: + + 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't12' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2237:25: + + 2237 | t658 = t121*t599 + | ^ +Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:54: + + 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't121' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: + + 2247 | /0.3e1_dp + | ^ +Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:60: + + 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't123' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2233:26: + + 2233 | *t110*t273 + | ^ +Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:66: + + 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't124' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: + + 2247 | /0.3e1_dp + | ^ +Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:72: + + 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't125' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: + + 2247 | /0.3e1_dp + | ^ +Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:78: + + 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't129' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2107:42: + + 2107 | *t110*t273 - t109*t112/t26 + | ^ +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:83: + + 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't13' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2241:25: + + 2241 | t677 = t132*t599 + | ^ +Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:89: + + 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't132' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: + + 2247 | /0.3e1_dp + | ^ +Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:95: + + 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & + | ^ +note: 't134' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: + + 2247 | /0.3e1_dp + | ^ +Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1931:13: + + 1931 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & + | ^ +note: 't135' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2128:56: + + 2128 | - t139*t269*t297/0.24e2_dp)*sx + | ^ +Warning: 't138' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1931:19: + + 1931 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & + | ^ +note: 't138' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: 1866 | *t339*t969 @@ -26988,6 +23999,36 @@ 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & | ^ note: 't1640' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2128:56: + + 2128 | - t139*t269*t297/0.24e2_dp)*sx + | ^ +Warning: 't139' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1931:25: + + 1931 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & + | ^ +note: 't139' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2057:49: + + 2057 | *t4*t145*t19 - t176*t152/0.8e1_dp + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1932:42: + + 1932 | t182, t183, t186, t188, t189, t19, t197, t2, t20, t201, t202, t205, t206, t209, t211, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2057:49: + + 2057 | *t4*t145*t19 - t176*t152/0.8e1_dp + | ^ +Warning: 't20' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1932:57: + + 1932 | t182, t183, t186, t188, t189, t19, t197, t2, t20, t201, t202, t205, t206, t209, t211, & + | ^ +note: 't20' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2387:49: 2387 | t5482 = 0.2160000000e3_dp*t7*t1642 @@ -27228,6 +24269,16 @@ 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & | ^ note: 't1726' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2107:42: + + 2107 | *t110*t273 - t109*t112/t26 + | ^ +Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1934:12: + + 1934 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & + | ^ +note: 't26' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2004:32: 2004 | t4352 = t1731*t67 @@ -27238,11 +24289,281 @@ 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & | ^ note: 't1731' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2092:25: + + 2092 | t220*t225 + | ^ +Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_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-2025.1/src/xc/xc_xbecke_roussel.F:1934:53: + + 1934 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & + | ^ +note: 't27' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2177:23: + + 2177 | t490 = t28*t57 + | ^ +Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1934:76: + + 1934 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & + | ^ +note: 't28' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2076:32: + + 2076 | t223 = 0.1e1_dp/t65/t29 + | ^ +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1934:93: + + 1934 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & + | ^ +note: 't29' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2063:25: + + 2063 | t188 = t30*gamma + | ^ +Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1935:28: + + 1935 | t297, t299, t3, t30, t301, t303, t306, t307, t308, t31, t310, t312 + | ^ +note: 't30' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2047:28: + + 2047 | t155 = 0.1e1_dp/t35 + | ^ +Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1936:62: + + 1936 | REAL(KIND=dp) :: t313, t321, t326, t329, t339, t343, t35, t351, t354, t355, t36, t363, t364, & + | ^ +note: 't35' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2174:31: + + 2174 | - t36*t37*gamma + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1936:85: + + 1936 | REAL(KIND=dp) :: t313, t321, t326, t329, t339, t343, t35, t351, t354, t355, t36, t363, t364, & + | ^ +note: 't36' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2174:31: + + 2174 | - t36*t37*gamma + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1937:24: + + 1937 | t365, t367, t37, t371, t375, t379, t383, t386, t388, t4, t404, t406, t408, t409, t41, & + | ^ +note: 't37' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2058:28: + + 2058 | t180 = 0.1e1_dp/t41 + | ^ +Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1937:93: + + 1937 | t365, t367, t37, t371, t375, t379, t383, t386, t388, t4, t404, t406, t408, t409, t41, & + | ^ +note: 't41' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2222:28: + + 2222 | t614 = t43*t612*t98 + | ^ +Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1938:35: + + 1938 | t411, t412, t42, t428, t43, t430, t432, t434, t437, t439, t44, t441, t45, t453, t456, & + | ^ +note: 't43' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2061:22: + + 2061 | t183 = t7*t45 + | ^ +Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1938:81: + + 1938 | t411, t412, t42, t428, t43, t430, t432, t434, t437, t439, t44, t441, t45, t453, t456, & + | ^ +note: 't45' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2147:58: + + 2147 | *t379 - 0.80e2_dp/0.729e3_dp*t94*t216*t383 + | ^ +Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1940:82: + + 1940 | t502, t503, t506, t508, t519, t52, t521, t523, t524, t526, t527, t53, t54, t543, t545, & + | ^ +note: 't54' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2179:23: + + 2179 | t494 = t55*t66 + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1941:24: + + 1941 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & + | ^ +note: 't55' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2051:25: + + 2051 | t164 = t57*gamma + | ^ +Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1941:53: + + 1941 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & + | ^ +note: 't57' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2050:22: + + 2050 | t162 = t6*rho + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1941:80: + + 1941 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2075:22: + + 2075 | t220 = t6*t63 + | ^ +Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1942:47: + + 1942 | t612, t614, t62, t625, t627, t629, t63, t630, t632, t633, t64, t649 + | ^ +note: 't63' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2181:23: + + 2181 | t498 = t64*t76 + | ^ +Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1942:70: + + 1942 | t612, t614, t62, t625, t627, t629, t63, t630, t632, t633, t64, t649 + | ^ +note: 't64' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2076:32: + + 2076 | t223 = 0.1e1_dp/t65/t29 + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1943:26: + + 1943 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2066:25: + + 2066 | t201 = t66*gamma + | ^ +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1943:55: + + 1943 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & + | ^ +note: 't66' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2147:58: + + 2147 | *t379 - 0.80e2_dp/0.729e3_dp*t94*t216*t383 + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1943:94: + + 1943 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & + | ^ +note: 't7' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2183:24: + + 2183 | t502 = t74*t223 + | ^ +Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:27: + + 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't74' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2071:25: + + 2071 | t211 = t76*gamma + | ^ +Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:32: + + 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't76' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2216:34: + + 2216 | + t36*t37/0.4e1_dp + | ^ +Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:41: + + 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't8' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2227:29: + + 2227 | t629 = t600*t80*t129 + | ^ +Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:46: + + 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't80' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: + + 2247 | /0.3e1_dp + | ^ +Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:51: + + 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't81' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2216:34: + + 2216 | + t36*t37/0.4e1_dp + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:70: + + 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2238:24: + + 2238 | t660 = t612*t98 + | ^ +Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:90: + + 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't98' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: + + 2247 | /0.3e1_dp + | ^ +Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:95: + + 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 + | ^ +note: 't99' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:14: 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 @@ -27628,246 +24949,76 @@ 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & | ^ note: 't1966' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: - - 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:31: - - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't102' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1043:53: - - 1043 | t487 = t459*t160 + t472*t103 - t86*t211*t484 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:37: - - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't103' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_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-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: - - 1049 | /0.2e1_dp))*sx - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_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-2025.1/src/xc/xc_xbecke_roussel.F:823:49: - - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't106' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: - - 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:55: - - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't107' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_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-2025.1/src/xc/xc_xbecke_roussel.F:970:29: - - 970 | t255 = t21*t106*t108 - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:61: - - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't108' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_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-2025.1/src/xc/xc_xbecke_roussel.F:969:25: - - 969 | t249 = t109*t102 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:67: - - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: - - 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:73: - - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't110' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: 2717 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: 't1973' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: - - 1049 | /0.2e1_dp))*sx - | ^ -Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_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-2025.1/src/xc/xc_xbecke_roussel.F:823:79: - - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't111' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: - - 1049 | /0.2e1_dp))*sx - | ^ -Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:85: - - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't112' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_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-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: - - 1049 | /0.2e1_dp))*sx - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_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-2025.1/src/xc/xc_xbecke_roussel.F:823:91: - - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't115' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: - - 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:97: - - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^ -note: 't117' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 | ^ Warning: 't1975' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:929:53: - - 929 | t42*t23*t124*t16 - t154*t131/0.8e1_dp - | ^ -Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_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-2025.1/src/xc/xc_xbecke_roussel.F:824:78: - - 824 | t124, t131, t134, t137, t138, t142, t143, t154, t157, t158, t159, t16, t160, t162, t165, & - | ^ -note: 't16' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:933:22: - - 933 | t162 = t4*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_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-2025.1/src/xc/xc_xbecke_roussel.F:825:24: - - 825 | t167, t168, t17, t176, t180, t181, t184, t185, t188, t19, t190, t191, t195, t196, t199, & - | ^ -note: 't17' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_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-2025.1/src/xc/xc_xbecke_roussel.F:965:21: - - 965 | *t204 - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:825:65: - - 825 | t167, t168, t17, t176, t180, t181, t184, t185, t188, t19, t190, t191, t195, t196, t199, & - | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:968:29: - - 968 | t248 = t21*t106/t245 - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:826:51: - - 826 | t2, t20, t202, t203, t204, t207, t208, t21, t210, t211, t22, t23, t237, t24, t240, t245, & - | ^ -note: 't21' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 | ^ Warning: 't1988' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1034:32: - - 1034 | t42*t43/0.4e1_dp - | ^ -Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_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-2025.1/src/xc/xc_xbecke_roussel.F:827:24: - - 827 | t248, t249, t25, t255, t256, t258, t26, t265, t267, t272, t285, t288, t289, t29, t297, & - | ^ -note: 't25' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:929:53: - - 929 | t42*t23*t124*t16 - t154*t131/0.8e1_dp - | ^ -Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:827:47: - - 827 | t248, t249, t25, t255, t256, t258, t26, t265, t267, t272, t285, t288, t289, t29, t297, & - | ^ -note: 't26' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1896:32: 1896 | t3875 = t45*t2002 @@ -27878,36 +25029,6 @@ 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ note: 't2002' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: - - 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:17: - - 828 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & - | ^ -note: 't3' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:921:22: - - 921 | t137 = t3*t32 - | ^ -Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:62: - - 828 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & - | ^ -note: 't32' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:919:40: - - 919 | t131 = 0.1e1_dp/t4/t33*gamma*t9 - | ^ -Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:79: - - 828 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & - | ^ -note: 't33' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: 2717 | + 0.4500000000e1_dp*t2009*t4744 @@ -27918,71 +25039,16 @@ 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ note: 't2009' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1011:23: - - 1011 | t387 = t34*t62 - | ^ -Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:90: - - 828 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & - | ^ -note: 't34' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:948:32: - - 948 | t202 = 0.1e1_dp/t70/t35 - | ^ -Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:829:12: - - 829 | t35, t356, t36, t37, t376, t377, t382, t383, t387, t388, t391 - | ^ -note: 't35' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:935:25: - - 935 | t167 = t36*gamma - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: 2717 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: 't2013' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:829:23: - - 829 | t35, t356, t36, t37, t376, t377, t382, t383, t387, t388, t391 - | ^ -note: 't36' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:985:51: - - 985 | ndrho/0.9e1_dp + t154*t285/0.4e1_dp - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_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-2025.1/src/xc/xc_xbecke_roussel.F:830:49: - - 830 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & - | ^ -note: 't4' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:920:28: - - 920 | t134 = 0.1e1_dp/t41 - | ^ -Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:72: - - 830 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & - | ^ -note: 't41' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:925:23: - - 925 | t154 = t42*t23 - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: 2717 | + 0.4500000000e1_dp*t2009*t4744 @@ -27993,231 +25059,56 @@ 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ note: 't2014' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:89: - - 830 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & - | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1009:31: - - 1009 | - t42*t43*gamma - | ^ -Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:94: - - 830 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & - | ^ -note: 't43' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:930:28: - - 930 | t158 = 0.1e1_dp/t47 - | ^ -Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:831:30: - - 831 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & - | ^ -note: 't47' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: 2717 | + 0.4500000000e1_dp*t2009*t4744 | ^ Warning: 't2018' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:967:22: - - 967 | t245 = t49**2 - | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/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-2025.1/src/xc/xc_xbecke_roussel.F:831:64: - - 831 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & - | ^ -note: 't49' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1006:22: - - 1006 | t376 = t5*t36 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:831:68: - - 831 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & - | ^ -note: 't5' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: 2234 | + t5032 + t5035 | ^ Warning: 't2022' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:998:58: - - 998 | *t313 - 0.80e2_dp/0.729e3_dp*t99*t195*t317 - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_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-2025.1/src/xc/xc_xbecke_roussel.F:832:17: - - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't59' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1034:32: - - 1034 | t42*t43/0.4e1_dp - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:21: - - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1013:23: - - 1013 | t391 = t60*t71 - | ^ -Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:26: - - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't60' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:923:25: - - 923 | t142 = t62*gamma - | ^ -Warning: 't62' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29: 2779 | *t6271 | ^ Warning: 't2027' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:31: - - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't62' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_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-2025.1/src/xc/xc_xbecke_roussel.F:947:22: - - 947 | t199 = t3*t68 - | ^ -Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:51: - - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't68' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1015:23: - - 1015 | t395 = t69*t81 - | ^ -Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:56: - - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't69' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:948:32: - - 948 | t202 = 0.1e1_dp/t70/t35 - | ^ -Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:61: - - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't70' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41: 2795 | *t5228*t2117*t2028 | ^ Warning: 't2028' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:938:25: - - 938 | t180 = t71*gamma - | ^ -Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:66: - - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't71' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_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-2025.1/src/xc/xc_xbecke_roussel.F:1017:24: - - 1017 | t399 = t79*t202 - | ^ -Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:91: - - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't79' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:943:25: - - 943 | t190 = t81*gamma - | ^ -Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:96: - - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^ -note: 't81' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:932:24: - - 932 | t160 = t85*t103 - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2744:46: 2744 | *t27*t6291*t172 - t5397 | ^ Warning: 't2031' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:833:17: - - 833 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval - | ^ -note: 't85' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_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-2025.1/src/xc/xc_xbecke_roussel.F:980:125: - - 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:833:22: - - 833 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:950:23: - - 950 | t204 = t203*t9 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:833:31: - - 833 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval - | ^ -note: 't9' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: 2811 | *t60*t2124*t709 - t6044 @@ -29418,376 +26309,2683 @@ 401 | t99, t991, t995, t997, xx | ^ note: 't997' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:290:79: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:579:31: + 290 | e_ndrho(ii) = e_ndrho(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx + | ^ +Warning: 'ds_ndrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:228:68: - 579 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & - | ^ -note: 't100' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^ +note: 'ds_ndrho' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:289:99: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:579:37: + 289 | e_rho(ii) = e_rho(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx + | ^ +Warning: 'ds_rho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:228:76: - 579 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & - | ^ -note: 't101' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^ +note: 'ds_rho' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:289:99: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ + 289 | e_rho(ii) = e_rho(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx + | ^ +Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:228:80: + + 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^ +note: 'dt' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_gw_ic.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:170: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:489:89: + + 489 | e_ndrho_spin(ii) = e_ndrho_spin(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx + | ^ +Warning: 'ds_ndrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:425:68: + + 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^ +note: 'ds_ndrho' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:488:109: + + 488 | e_rho_spin(ii) = e_rho_spin(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx + | ^ +Warning: 'ds_rho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:425:76: + + 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^ +note: 'ds_rho' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:488:109: + + 488 | e_rho_spin(ii) = e_rho_spin(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx + | ^ +Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:425:80: + + 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^ +note: 'dt' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_implicit_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_environment_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_mm.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:579:43: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:86: - 579 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & - | ^ + 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & + | ^ note: 't102' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:664:22: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - 664 | t108 = t4*t17 + 1052 | Clda)*sx + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:92: + + 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:959:23: + + 959 | t183 = t12*t11 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:97: + + 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & + | ^ +note: 't11' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:13: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:19: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't113' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:25: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't115' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:37: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't118' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:43: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't119' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:993:28: + + 993 | t272 = t268/t12/t13 + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:48: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't12' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:54: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't122' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:66: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't126' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:72: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't127' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:981:24: + + 981 | t229 = t13*t225 + | ^ +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:83: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't13' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:89: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't130' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:95: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^ +note: 't133' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:13: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't135' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't138' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:19: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't138' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1055:53: + + 1055 | t498 = 2*t172*t40*t225 + t14*t236 - t14*t496 + | ^ +Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:24: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't14' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:30: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't140' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:36: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't142' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:42: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't143' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:48: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't146' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1003:34: + + 1003 | t307 = 0.1e1_dp/t305*t150 + | ^ +Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:54: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't150' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:60: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't151' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't152' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:66: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't152' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:72: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't155' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't158' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:78: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ +note: 't158' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1008:22: + + 1008 | t330 = g4*t17 | ^ Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:581:42: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:89: - 581 | t161, t164, t165, t166, t169, t17, t170, t172, t173, t19, t199, t2, t20, t202, t207, & - | ^ + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^ note: 't17' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:705:21: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:982:24: - 705 | *t166 - | ^ + 982 | t232 = t19*t225 + | ^ Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:581:65: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:845:72: - 581 | t161, t164, t165, t166, t169, t17, t170, t172, t173, t19, t199, t2, t20, t202, t207, & - | ^ + 845 | t172, t173, t174, t178, t179, t180, t183, t184, t185, t188, t19, t190, t191, t192, t193, & + | ^ note: 't19' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1028:23: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ + 1028 | t461 = t74*t21 + | ^ Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:582:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:846:46: - 582 | t208, t209, t21, t217, t218, t22, t220, t227, t229, t23, t234, t246, t249, t252, t255, & - | ^ + 846 | t196, t197, t2, t200, t204, t207, t21, t211, t212, t213, t217, t22, t221, t225, t229, & + | ^ note: 't21' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:670:42: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:979:54: - 670 | t120 = 0.1e1_dp/(0.1e1_dp + t118) + 979 | *t41 - 0.9e1_dp/0.4e1_dp*t22*t221*t204 + | ^ +Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:846:75: + + 846 | t196, t197, t2, t200, t204, t207, t21, t211, t212, t213, t217, t22, t221, t225, t229, & + | ^ +note: 't22' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1022:23: + + 1022 | t406 = t25*t31 + | ^ +Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:847:42: + + 847 | t232, t235, t236, t242, t248, t25, t264, t268, t27, t272, t276, t278, t280, t287, t289, & | ^ -Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:583:18: +note: 't25' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:985:24: - 583 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & - | ^ -note: 't26' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:707:22: + 985 | t242 = t27*t225 + | ^ +Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:847:59: - 707 | t207 = t28**2 - | ^ -Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:583:64: + 847 | t232, t235, t236, t242, t248, t25, t264, t268, t27, t272, t276, t278, t280, t287, t289, & + | ^ +note: 't27' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:970:59: - 583 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & - | ^ -note: 't28' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: + 970 | t204 = 4*t193*t185 + 5*t196*t197 + 6*t200*t31*t174 + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:848:51: - 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ -Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:583:85: + 848 | t29, t292, t297, t299, t3, t305, t307, t31, t317, t320, t324 + | ^ +note: 't31' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:996:45: - 583 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & - | ^ -note: 't3' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:747:46: + 996 | t280 = 0.1e1_dp/t21*t33*t276*t1*t278 + | ^ +Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:32: - 747 | /0.2e1_dp))*sx - | ^ + 849 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & + | ^ +note: 't33' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:584:34: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:61: - 584 | t308, t32, t320, t33, t34, t340, t341, t342, t344, t346, t349, t35, t350, t353, t354, & - | ^ + 849 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & + | ^ note: 't34' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:685:26: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - 685 | t157 = t3*t44*t35 - | ^ + 1052 | Clda)*sx + | ^ Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:584:75: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:78: - 584 | t308, t32, t320, t33, t34, t340, t341, t342, t344, t346, t349, t35, t350, t353, t354, & - | ^ + 849 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & + | ^ note: 't35' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:753:23: - - 753 | t349 = t36*t47 - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:585:24: - - 585 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 - | ^ -note: 't36' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:688:32: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - 688 | t164 = 0.1e1_dp/t55/t37 - | ^ + 1052 | Clda)*sx + | ^ Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:585:59: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:12: - 585 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 - | ^ + 850 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & + | ^ note: 't37' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ + 1052 | Clda)*sx + | ^ Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:585:70: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:17: - 585 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 - | ^ + 850 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & + | ^ note: 't38' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:721:22: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:990:27: - 721 | t246 = t4*t38 - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:586:42: + 990 | *t37*t248 + | ^ +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:28: - 586 | REAL(KIND=dp) :: t381, t387, t39, t4, t401, t42, t422, t43, t434, t435, t436, t44, t448, & - | ^ -note: 't4' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:736:58: + 850 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & + | ^ +note: 't39' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - 736 | *t267 - 0.80e2_dp/0.729e3_dp*t84*t157*t271 - | ^ + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:55: + + 850 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & + | ^ +note: 't40' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:586:87: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:12: - 586 | REAL(KIND=dp) :: t381, t387, t39, t4, t401, t42, t422, t43, t434, t435, t436, t44, t448, & - | ^ + 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & + | ^ note: 't44' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:755:23: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - 755 | t353 = t45*t56 - | ^ + 1084 | *t155)*Clda)*sx + | ^ Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:12: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:17: - 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^ + 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & + | ^ note: 't45' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:675:25: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:972:47: - 675 | t134 = t47*gamma - | ^ -Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:23: + 972 | t211 = 0.2e1_dp/0.3e1_dp*t50*t93*t7*t4 + | ^ +Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:66: - 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^ -note: 't47' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:748:22: + 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & + | ^ +note: 't50' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1001:28: - 748 | t340 = t5*t38 + 1001 | t299 = 0.1e1_dp/t51 + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:71: + + 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & + | ^ +note: 't51' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:82: + + 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & + | ^ +note: 't52' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1002:22: + + 1002 | t305 = t56**2 | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:38: +Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:40: - 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^ +note: 't56' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:51: + + 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^ +note: 't58' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:67: + + 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:82: + + 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^ +note: 't64' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:87: + + 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:91: + + 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^ +note: 't7' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1028:23: + + 1028 | t461 = t74*t21 + | ^ +Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:96: + + 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^ +note: 't74' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:12: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't75' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1060:38: + + 1060 | t531 = F1*t235*t34 - t77*t529 | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:687:22: +Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:17: - 687 | t161 = t3*t53 + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't77' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1025:23: + + 1025 | t415 = t79*t21 + | ^ +Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:22: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 | ^ +note: 't79' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:31: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't81' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:36: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't83' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:41: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't84' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1014:32: + + 1014 | t352 = 0.1e1_dp/t85/t33 + | ^ +Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:46: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't85' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:51: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:56: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't89' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:61: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't91' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:66: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't93' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:81: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^ +note: 't97' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75: + + 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) + | ^ +Warning: 'p' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:24: + + 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & + | ^ +note: 'p' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75: + + 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) + | ^ +Warning: 'q' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:41: + + 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & + | ^ +note: 'q' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1000:25: + + 1000 | t297 = EXP(-t53) + | ^ Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:53: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:18: - 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^ + 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^ note: 't53' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:757:23: +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_ddapc_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kpp1_env_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'post_scf_bandstructure_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_nonbond_force.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F fist_nonbond_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_nonbond_force.F90 +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1669:86: - 757 | t357 = t54*t66 + 1669 | t256)*t95*t237 - t94*t97/t29 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:30: + + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't10' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1657:33: + + 1657 | t232 = 0.1e1_dp/t100/t99 + | ^ +Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:36: + + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't100' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1762:25: + + 1762 | t525 = t143*t101 + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:42: + + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't101' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: + + 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:48: + + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1781:25: + + 1781 | t581 = t580*t103 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:54: + + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1796:37: + + 1796 | /0.3e1_dp*t626)*t106 + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:66: + + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: + + 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:72: + + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: + + 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:78: + + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1757:86: + + 1757 | t468 + t506)*t95*t237 + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:84: + + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1685:36: + + 1685 | - 0.4e1_dp*t299*t116 + | ^ +Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:90: + + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't111' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: + + 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:96: + + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^ +note: 't113' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: + + 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:19: + + 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^ +note: 't116' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1688:76: + + 1688 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx + | ^ +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:25: + + 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^ +note: 't118' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1807:66: + + 1807 | *t233*t623/0.24e2_dp)*sx + | ^ +Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:31: + + 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^ +note: 't119' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1688:76: + + 1688 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx + | ^ +Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:37: + + 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^ +note: 't121' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1807:66: + + 1807 | *t233*t623/0.24e2_dp)*sx + | ^ +Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:43: + + 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^ +note: 't123' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1611:22: + + 1611 | t128 = t5*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1505:71: + + 1505 | t146, t153, t154, t157, t159, t16, t160, t163, t167, t168, t17, t171, t172, t175, t177, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1617:42: + + 1617 | t140 = 0.1e1_dp/(0.1e1_dp + t138) + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1506:93: + + 1506 | t178, t18, t182, t183, t186, t189, t190, t191, t194, t196, t197, t199, t2, t200, t21, & + | ^ +note: 't21' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1673:21: + + 1673 | t272 = R*t23 + | ^ +Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1507:29: + + 1507 | t22, t226, t229, t23, t232, t233, t234, t235, t237, t24, t242, t247, t249, t254, t256, & + | ^ +note: 't23' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1669:86: + + 1669 | t256)*t95*t237 - t94*t97/t29 + | ^ +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1508:64: + + 1508 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & + | ^ +note: 't29' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1655:25: + + 1655 | t186*t191 + | ^ +Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1508:97: + + 1508 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & + | ^ +note: 't30' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1734:23: + + 1734 | t450 = t31*t42 | ^ -Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:58: +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1509:18: - 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + 1509 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 + | ^ +note: 't31' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1637:32: + + 1637 | t189 = 0.1e1_dp/t50/t32 + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1509:53: + + 1509 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 + | ^ +note: 't32' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1613:25: + + 1613 | t133 = t33*gamma + | ^ +Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1509:70: + + 1509 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 + | ^ +note: 't33' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1704:58: + + 1704 | *t332 - 0.80e2_dp/0.729e3_dp*t79*t182*t336 | ^ -note: 't54' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:688:32: +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:24: - 688 | t164 = 0.1e1_dp/t55/t37 + 1511 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & + | ^ +note: 't39' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1623:22: + + 1623 | t157 = t4*rho + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:46: + + 1511 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & + | ^ +note: 't4' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1736:23: + + 1736 | t454 = t40*t51 + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:51: + + 1511 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & + | ^ +note: 't40' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1624:25: + + 1624 | t159 = t42*gamma + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:74: + + 1511 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1636:22: + + 1636 | t186 = t4*t48 + | ^ +Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:35: + + 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^ +note: 't48' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1738:23: + + 1738 | t458 = t49*t61 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:58: + + 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^ +note: 't49' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1793:88: + + 1793 | - t580 + t618)*t95*t237 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:62: + + 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1637:32: + + 1637 | t189 = 0.1e1_dp/t50/t32 | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:63: +Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:67: - 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:678:25: + 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^ +note: 't50' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1627:25: - 678 | t142 = t56*gamma + 1627 | t167 = t51*gamma | ^ -Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:68: +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:90: - 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^ -note: 't56' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:759:24: + 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^ +note: 't51' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1740:24: - 759 | t361 = t64*t164 + 1740 | t462 = t59*t189 | ^ -Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:93: +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1515:29: - 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^ -note: 't64' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:683:25: + 1515 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & + | ^ +note: 't59' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1786:21: - 683 | t152 = t66*gamma + 1786 | t612 = t3*t6 + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1515:45: + + 1515 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1632:25: + + 1632 | t177 = t61*gamma | ^ +Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1515:50: + + 1515 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & + | ^ +note: 't61' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: + + 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1516:24: + + 1516 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1675:24: + + 1675 | t280 = t108*t66 + | ^ Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:12: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1516:53: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ + 1516 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 + | ^ note: 't66' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:722:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1797:24: - 722 | t249 = t120*t70 + 1797 | t638 = t578*t83 | ^ -Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:22: +Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:36: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't83' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: + + 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:41: + + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't84' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1659:23: + + 1659 | t234 = t86*t89 + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:51: + + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1662:27: + + 1662 | t242 = t87*t88*t93 + | ^ +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:56: + + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't87' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1662:27: + + 1662 | t242 = t87*t88*t93 + | ^ +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:61: + + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't88' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1659:23: + + 1659 | t234 = t86*t89 + | ^ +Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:66: + + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't89' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1639:23: + + 1639 | t191 = t190*t9 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:70: + + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1664:24: + + 1664 | t249 = t90/t247 + | ^ +Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:75: + + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't90' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1663:22: + + 1663 | t247 = t91**2 | ^ -note: 't70' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:80: - 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ -Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:27: + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't91' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1713:46: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + 1713 | (-t385 - t341 + t387)*t95*t237 + | ^ +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:85: + + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't93' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1793:88: + + 1793 | - t580 + t618)*t95*t237 + | ^ +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:90: + + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't94' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1793:88: + + 1793 | - t580 + t618)*t95*t237 + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:95: + + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^ +note: 't95' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1713:46: + + 1713 | (-t385 - t341 + t387)*t95*t237 + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1518:17: + + 1518 | t96, t97, t99 + | ^ +note: 't97' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1657:33: + + 1657 | t232 = 0.1e1_dp/t100/t99 + | ^ +Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1518:22: + + 1518 | t96, t97, t99 + | ^ +note: 't99' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1328:86: + + 1328 | t221)*t95*t235 - t94*t97/t29 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:30: + + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't10' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1319:43: + + 1319 | t231 = REAL(t85, KIND=dp)/t100/t99 + | ^ +Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:36: + + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't100' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1349:56: + + 1349 | - t124*t231*t259/0.24e2_dp)*sx + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:42: + + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't101' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1317:27: + + 1317 | t227 = t102*R*t219 | ^ -note: 't71' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:48: - 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1460:69: + + 1460 | t634 = (t574 + t587 - t600 - t605 - t606 + t609 + t632)*t106 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:54: + + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1460:69: + + 1460 | t634 = (t574 + t587 - t600 - t605 - t606 + t609 + t632)*t106 + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:66: + + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: + + 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:72: + + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1422:86: + + 1422 | t477 + t490)*t95*t235 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:78: + + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: + + 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:84: + + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: + + 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:90: + + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't114' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1464:70: + + 1464 | t655 = (-t574 - t587 + t600 - t605 - t606 + t609 + t632)*t117 + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:96: + + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: + + 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1166:13: + + 1166 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & + | ^ +note: 't119' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: + + 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't120' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1166:19: + + 1166 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & + | ^ +note: 't120' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1349:56: + + 1349 | - t124*t231*t259/0.24e2_dp)*sx + | ^ +Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1166:25: + + 1166 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & + | ^ +note: 't123' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1349:56: + + 1349 | - t124*t231*t259/0.24e2_dp)*sx + | ^ +Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1166:31: + + 1166 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & + | ^ +note: 't124' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1271:22: + + 1271 | t129 = t5*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1167:65: + + 1167 | t153, t155, t156, t159, t16, t163, t164, t167, t168, t17, t171, t173, t174, t178, t179, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1277:42: + + 1277 | t141 = 0.1e1_dp/(0.1e1_dp + t139) + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1168:63: + + 1168 | t18, t182, t185, t186, t187, t190, t192, t193, t2, t21, t219, t22, t221, t223, t224, & + | ^ +note: 't21' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1446:28: + + 1446 | t587 = t23*t585*t83 + | ^ +Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1169:30: + + 1169 | t225, t227, t228, t23, t231, t232, t233, t235, t24, t240, t245, t247, t259, t261, t263, & + | ^ +note: 't23' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1328:86: + + 1328 | t221)*t95*t235 - t94*t97/t29 + | ^ +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1170:76: + + 1170 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & + | ^ +note: 't29' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1312:25: + + 1312 | t182*t187 + | ^ +Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1170:91: + + 1170 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & + | ^ +note: 't30' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1399:23: + + 1399 | t459 = t31*t42 + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1171:18: + + 1171 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 + | ^ +note: 't31' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1296:32: + + 1296 | t185 = 0.1e1_dp/t50/t32 + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1171:53: + + 1171 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 + | ^ +note: 't32' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1273:25: + + 1273 | t134 = t33*gamma + | ^ +Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1171:70: + + 1171 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 + | ^ +note: 't33' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1365:58: + + 1365 | *t331 - 0.80e2_dp/0.729e3_dp*t79*t178*t335 + | ^ +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1173:34: + + 1173 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & + | ^ +note: 't39' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1282:22: + + 1282 | t153 = t4*rho + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1173:68: + + 1173 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & + | ^ +note: 't4' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1401:23: + + 1401 | t463 = t40*t51 + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1173:73: + + 1173 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & + | ^ +note: 't40' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1283:25: + + 1283 | t155 = t42*gamma + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1174:18: + + 1174 | t414, t42, t423, t426, t43, t434, t443, t450, t455, t456, t459, t46, t460, t463, t464, & + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1295:22: + + 1295 | t182 = t4*t48 + | ^ +Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1175:53: + + 1175 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & + | ^ +note: 't48' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1403:23: + + 1403 | t467 = t49*t61 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1175:64: + + 1175 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & + | ^ +note: 't49' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1457:88: + + 1457 | - t587 + t600)*t95*t235 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1176:17: + + 1176 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1296:32: + + 1296 | t185 = 0.1e1_dp/t50/t32 + | ^ +Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1176:22: + + 1176 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & + | ^ +note: 't50' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1286:25: + + 1286 | t163 = t51*gamma + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1176:27: + + 1176 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & + | ^ +note: 't51' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1405:24: + + 1405 | t471 = t59*t185 + | ^ +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1177:63: + + 1177 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & + | ^ +note: 't59' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1442:35: + + 1442 | t574 = t3*t6*t572/0.9e1_dp + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1177:73: + + 1177 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1291:25: + + 1291 | t173 = t61*gamma + | ^ +Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1178:18: + + 1178 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 + | ^ +note: 't61' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1385:35: + + 1385 | t414 = ndrho*t141*t65*t114 + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1178:70: + + 1178 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: + + 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:26: + + 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ +note: 't66' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1461:24: + + 1461 | t639 = t585*t83 + | ^ +Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:67: + + 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ +note: 't83' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: + + 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:72: + + 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ +note: 't84' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1320:23: + + 1320 | t232 = t86*t89 + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:82: + + 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1323:27: + + 1323 | t240 = t87*t88*t93 + | ^ Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:57: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:87: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ + 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ note: 't87' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:706:53: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1323:27: - 706 | t202 = -t121*t122 + t170*t88 - t71*t173*t199 - | ^ + 1323 | t240 = t87*t88*t93 + | ^ Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:62: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:92: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ + 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ note: 't88' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:690:23: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1320:23: - 690 | t166 = t165*t9 + 1320 | t232 = t86*t89 + | ^ +Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:97: + + 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^ +note: 't89' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1298:23: + + 1298 | t187 = t186*t9 | ^ Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:71: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:11: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ + 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ note: 't9' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1325:24: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ + 1325 | t247 = t90/t245 + | ^ +Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:16: + + 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't90' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1324:22: + + 1324 | t245 = t91**2 + | ^ Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:76: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:21: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ + 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ note: 't91' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1375:50: - 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ -Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:81: + 1375 | t94*(-t317 - t340 + t358)*t95*t235 + | ^ +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:26: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't93' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1457:88: + + 1457 | - t587 + t600)*t95*t235 + | ^ +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:31: + + 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't94' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1457:88: + + 1457 | - t587 + t600)*t95*t235 + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:36: + + 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't95' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1375:50: + + 1375 | t94*(-t317 - t340 + t358)*t95*t235 + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:46: + + 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't97' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1319:43: + + 1319 | t231 = REAL(t85, KIND=dp)/t100/t99 + | ^ +Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:51: + + 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^ +note: 't99' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:647:49: + + 647 | - 0.9e1_dp/0.4e1_dp*t22*t265*t248 + | ^ +Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:47: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^ +note: 't14' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:690:42: + + 690 | *(t262 - t235*t41*t248)) + | ^ +Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:489:67: + + 489 | REAL(KIND=dp) :: t717, t720, t723, t73, t739, t758, t762, t77, t8, t800, t803, t808, t85, & + | ^ +note: 't77' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:699:33: + + 699 | t445 = 0.1e1_dp/t117/t33 + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:66: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75: + + 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) + | ^ +Warning: 'p' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:475:24: + + 475 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t103, t104, & + | ^ +note: 'p' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75: + + 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) + | ^ +Warning: 'q' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:475:41: + + 475 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t103, t104, & + | ^ +note: 'q' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:18: + + 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 + | ^ +note: 't64' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:484:44: + + 484 | t38, t382, t385, t39, t393, t4, t40, t401, t402, t404, t405, t409, t41, t42, t420, t421, & + | ^ +note: 't40' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:13: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^ +note: 't125' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:483:81: + + 483 | t33, t331, t334, t339, t34, t341, t347, t349, t35, t359, t362, t368, t37, t370, t373, & | ^ -note: 't92' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:710:27: +note: 't37' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - 710 | t217 = t21*t91*t93 + 761 | Clda)*sx + | ^ +Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:25: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^ +note: 't129' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:59: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^ +note: 't142' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:42: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^ +note: 't136' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't163' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:31: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^ +note: 't163' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:37: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^ +note: 't164' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:54: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^ +note: 't115' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:36: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^ +note: 't195' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:718:29: + + 718 | t581 = t64*t118*t103 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:475:86: + + 475 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t103, t104, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:720:25: + + 720 | t603 = t437*t105 + | ^ +Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:13: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^ +note: 't105' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:661:30: + + 661 | t314 = t312*t106*t107 + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:19: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:702:25: + + 702 | t473 = t424*t107 + | ^ +Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:25: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^ +note: 't107' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:704:30: + + 704 | t479 = t108*t429*t331 + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:31: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:37: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:675:23: + + 675 | t373 = t73*t11 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:42: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^ +note: 't11' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:48: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^ +note: 't113' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:723:25: + + 723 | t612 = t429*t116 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:60: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^ +note: 't116' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:72: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^ +note: 't118' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: + + 773 | t409*(t281 - t235*t41*t292)) + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:83: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^ +note: 't12' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:89: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^ +note: 't121' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:95: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^ +note: 't123' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: + + 773 | t409*(t281 - t235*t41*t292)) + | ^ +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:30: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^ +note: 't13' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:36: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^ +note: 't133' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:53: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^ +note: 't140' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:65: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^ +note: 't143' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:71: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^ +note: 't144' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:77: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^ +note: 't147' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:83: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^ +note: 't150' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't152' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:89: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^ +note: 't152' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:95: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^ +note: 't155' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:13: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^ +note: 't156' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:19: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^ +note: 't159' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't167' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:43: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^ +note: 't167' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:635:22: + + 635 | t240 = a4*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:48: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't170' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:54: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^ +note: 't170' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:60: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^ +note: 't173' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:66: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^ +note: 't175' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:72: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^ +note: 't176' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:78: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^ +note: 't177' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:84: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^ +note: 't178' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't181' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:90: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^ +note: 't181' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:96: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^ +note: 't183' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:13: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^ +note: 't187' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:698:24: + + 698 | t437 = t227*t19 + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:18: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:24: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^ +note: 't190' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:670:34: + + 670 | t349 = 0.1e1_dp/t347*t194 + | ^ +Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:30: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^ +note: 't194' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:42: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^ +note: 't196' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:48: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^ +note: 't199' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:58: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^ +note: 't202' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:709:24: + + 709 | t504 = t429*t21 + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:69: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^ +note: 't21' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:647:49: + + 647 | - 0.9e1_dp/0.4e1_dp*t22*t265*t248 + | ^ +Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:480:12: + + 480 | t22, t222, t223, t224, t227, t228, t229, t232, t234, t235, t236, t237, t240, t244, t248, & + | ^ +note: 't22' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:714:25: + + 714 | t533 = t25*t31*C + | ^ +Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:481:12: + + 481 | t25, t251, t255, t256, t257, t261, t262, t265, t269, t27, t273, t276 + | ^ +note: 't25' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:637:63: + + 637 | t248 = 4*t237*t229 + 5*t240*t27*t218 + 6*t244*t31*t218 + | ^ +Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:481:65: + + 481 | t25, t251, t255, t256, t257, t261, t262, t265, t269, t27, t273, t276 + | ^ +note: 't27' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:714:25: + + 714 | t533 = t25*t31*C + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:482:65: + + 482 | REAL(KIND=dp) :: t279, t280, t281, t29, t292, t3, t308, t31, t312, t314, t318, t320, t322, & + | ^ +note: 't31' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:699:33: + + 699 | t445 = 0.1e1_dp/t117/t33 + | ^ +Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:483:12: + + 483 | t33, t331, t334, t339, t34, t341, t347, t349, t35, t359, t362, t368, t37, t370, t373, & + | ^ +note: 't33' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:483:35: + + 483 | t33, t331, t334, t339, t34, t341, t347, t349, t35, t359, t362, t368, t37, t370, t373, & + | ^ +note: 't34' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:483:58: + + 483 | t33, t331, t334, t339, t34, t341, t347, t349, t35, t359, t362, t368, t37, t370, t373, & + | ^ +note: 't35' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:484:12: + + 484 | t38, t382, t385, t39, t393, t4, t40, t401, t402, t404, t405, t409, t41, t42, t420, t421, & + | ^ +note: 't38' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:658:27: + + 658 | *t37*t292 | ^ +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:484:29: + + 484 | t38, t382, t385, t39, t393, t4, t40, t401, t402, t404, t405, t409, t41, t42, t420, t421, & + | ^ +note: 't39' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:485:54: + + 485 | t424, t425, t426, t429, t430, t431, t437, t44, t445, t446, t45, t451, t46, t473, t475, & + | ^ +note: 't44' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:485:71: + + 485 | t424, t425, t426, t429, t430, t431, t437, t44, t445, t446, t45, t451, t46, t473, t475, & + | ^ +note: 't45' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:639:48: + + 639 | t255 = 0.2e1_dp/0.3e1_dp*t50*t125*t7*t4 + | ^ +Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:45: + + 486 | t479, t48, t484, t497, t498, t5, t50, t503, t504, t51, t517, t52, t523, t524, t527, t53, & + | ^ +note: 't50' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: + + 773 | t409*(t281 - t235*t41*t292)) + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:62: + + 486 | t479, t48, t484, t497, t498, t5, t50, t503, t504, t51, t517, t52, t523, t524, t527, t53, & + | ^ +note: 't51' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:73: + + 486 | t479, t48, t484, t497, t498, t5, t50, t503, t504, t51, t517, t52, t523, t524, t527, t53, & + | ^ +note: 't52' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:695:23: + + 695 | t429 = t86*t56 + | ^ +Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:487:35: + + 487 | t533, t534, t54, t541, t56, t568, t57, t58, t581, t590, t6, t60, t603, t604, t61, t611, & + | ^ +note: 't56' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:487:51: + + 487 | t533, t534, t54, t541, t56, t568, t57, t58, t581, t590, t6, t60, t603, t604, t61, t611, & + | ^ +note: 't58' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:487:67: + + 487 | t533, t534, t54, t541, t56, t568, t57, t58, t581, t590, t6, t60, t603, t604, t61, t611, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:29: + + 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 + | ^ +note: 't65' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:62: + + 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 + | ^ +note: 't7' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:766:38: + + 766 | t677 = F1*t279*t34 - t71*t675 + | ^ +Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:67: + + 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 + | ^ +note: 't71' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:716:23: + + 716 | t541 = t73*t21 + | ^ +Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:489:44: + + 489 | REAL(KIND=dp) :: t717, t720, t723, t73, t739, t758, t762, t77, t8, t800, t803, t808, t85, & + | ^ +note: 't73' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:690:42: + + 690 | *(t262 - t235*t41*t248)) + | ^ +Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:489:94: + + 489 | REAL(KIND=dp) :: t717, t720, t723, t73, t739, t758, t762, t77, t8, t800, t803, t808, t85, & + | ^ +note: 't85' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:695:23: + + 695 | t429 = t86*t56 + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:12: + + 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:703:29: + + 703 | t475 = t473*t87*t218 + | ^ +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:17: + + 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 + | ^ +note: 't87' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: + + 773 | t409*(t281 - t235*t41*t292)) + | ^ +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:22: + + 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 + | ^ +note: 't88' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: + + 773 | t409*(t281 - t235*t41*t292)) + | ^ Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:86: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:37: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ + 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 + | ^ note: 't93' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:690:42: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ + 690 | *(t262 - t235*t41*t248)) + | ^ Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:91: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:42: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ + 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 + | ^ note: 't94' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: - 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ + 773 | t409*(t281 - t235*t41*t292)) + | ^ Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:96: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:47: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^ + 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 + | ^ note: 't95' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:589:12: + 773 | t409*(t281 - t235*t41*t292)) + | ^ +Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:57: - 589 | t96, t97, yval - | ^ -note: 't96' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 + | ^ +note: 't99' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:667:25: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:589:17: + 667 | t339 = EXP(-t53) + | ^ +Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:96: - 589 | t96, t97, yval - | ^ -note: 't97' was declared here + 486 | t479, t48, t484, t497, t498, t5, t50, t503, t504, t51, t517, t52, t523, t524, t527, t53, & + | ^ +note: 't53' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_b97.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_cs1.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_exchange_gga.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1155:24: 1155 | t206 = t1*ndrho @@ -31658,7 +30856,6 @@ 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & | ^ note: 't349' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_se.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1430:41: 1430 | *t1094 - t113*t114*t1098 @@ -31781,251 +30978,1006 @@ note: 't379' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:39: + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:39: + + 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-2025.1/src/xc/xc_xwpbe.F:1445:81: + + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:45: + + 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-2025.1/src/xc/xc_xwpbe.F:1445:81: + + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't385' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:51: + + 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-2025.1/src/xc/xc_xwpbe.F:1430:41: + + 1430 | *t1094 - t113*t114*t1098 + | ^ +Warning: 't389' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:63: + + 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-2025.1/src/xc/xc_xwpbe.F:1430:41: + + 1430 | *t1094 - t113*t114*t1098 + | ^ +Warning: 't392' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:74: + + 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-2025.1/src/xc/xc_xwpbe.F:1436:56: + + 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 + | ^ +Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:80: + + 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-2025.1/src/xc/xc_xwpbe.F:1436:56: + + 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 + | ^ +Warning: 't395' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:86: + + 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-2025.1/src/xc/xc_xwpbe.F:1436:56: + + 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 + | ^ +Warning: 't396' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:92: + + 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-2025.1/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-2025.1/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-2025.1/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-2025.1/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-2025.1/src/xc/xc_xwpbe.F:1445:81: + + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:34: + + 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-2025.1/src/xc/xc_xwpbe.F:1445:81: + + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:40: + + 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-2025.1/src/xc/xc_xwpbe.F:1445:81: + + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't403' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:46: + + 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-2025.1/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-2025.1/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-2025.1/src/xc/xc_xwpbe.F:5671:94: + + 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) + | ^ +Warning: 'dqndrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:69: + + 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^ +note: 'dqndrho' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5635:90: + + 5635 | 1.0_dp/Q*(dQrho*dQndrho + d2Qrhondrho) + 1.0_dp/(Q*Q)*dQrho*dQndrho + | ^ +Warning: 'dqrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:76: + + 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^ +note: 'dqrho' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_hcth.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_ke_gga.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_libxc.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_lyp.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_lyp_adiabatic.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_optx.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_pade.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_pbe.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_perdew_zunger.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_perdew_wang.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_tfw.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: + + 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:31: + + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1043:53: + + 1043 | t487 = t459*t160 + t472*t103 - t86*t211*t484 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:37: + + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: + + 1049 | /0.2e1_dp))*sx + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:49: + + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't106' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: + + 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:55: + + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't107' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:970:29: + + 970 | t255 = t21*t106*t108 + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:61: + + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't108' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:969:25: + + 969 | t249 = t109*t102 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:67: + + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't109' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: + + 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:73: + + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't110' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: + + 1049 | /0.2e1_dp))*sx + | ^ +Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:79: + + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't111' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: + + 1049 | /0.2e1_dp))*sx + | ^ +Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:85: + + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't112' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: + + 1049 | /0.2e1_dp))*sx + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:91: + + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't115' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: + + 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:97: + + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:929:53: + + 929 | t42*t23*t124*t16 - t154*t131/0.8e1_dp + | ^ +Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:824:78: + + 824 | t124, t131, t134, t137, t138, t142, t143, t154, t157, t158, t159, t16, t160, t162, t165, & + | ^ +note: 't16' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:933:22: + + 933 | t162 = t4*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:825:24: + + 825 | t167, t168, t17, t176, t180, t181, t184, t185, t188, t19, t190, t191, t195, t196, t199, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:965:21: + + 965 | *t204 + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:825:65: + + 825 | t167, t168, t17, t176, t180, t181, t184, t185, t188, t19, t190, t191, t195, t196, t199, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:968:29: + + 968 | t248 = t21*t106/t245 + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:826:51: + + 826 | t2, t20, t202, t203, t204, t207, t208, t21, t210, t211, t22, t23, t237, t24, t240, t245, & + | ^ +note: 't21' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1034:32: + + 1034 | t42*t43/0.4e1_dp + | ^ +Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:827:24: + + 827 | t248, t249, t25, t255, t256, t258, t26, t265, t267, t272, t285, t288, t289, t29, t297, & + | ^ +note: 't25' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:929:53: + + 929 | t42*t23*t124*t16 - t154*t131/0.8e1_dp + | ^ +Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:827:47: + + 827 | t248, t249, t25, t255, t256, t258, t26, t265, t267, t272, t285, t288, t289, t29, t297, & + | ^ +note: 't26' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: + + 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:17: + + 828 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & + | ^ +note: 't3' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:921:22: + + 921 | t137 = t3*t32 + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:62: + + 828 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & + | ^ +note: 't32' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:919:40: + + 919 | t131 = 0.1e1_dp/t4/t33*gamma*t9 + | ^ +Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:79: + + 828 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & + | ^ +note: 't33' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1011:23: + + 1011 | t387 = t34*t62 + | ^ +Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:90: + + 828 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & + | ^ +note: 't34' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:948:32: + + 948 | t202 = 0.1e1_dp/t70/t35 + | ^ +Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:829:12: + + 829 | t35, t356, t36, t37, t376, t377, t382, t383, t387, t388, t391 + | ^ +note: 't35' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:935:25: + + 935 | t167 = t36*gamma + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:829:23: + + 829 | t35, t356, t36, t37, t376, t377, t382, t383, t387, t388, t391 + | ^ +note: 't36' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:985:51: + + 985 | ndrho/0.9e1_dp + t154*t285/0.4e1_dp + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:49: + + 830 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & + | ^ +note: 't4' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:920:28: + + 920 | t134 = 0.1e1_dp/t41 + | ^ +Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:72: + + 830 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & + | ^ +note: 't41' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:925:23: + + 925 | t154 = t42*t23 + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:89: + + 830 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1009:31: + + 1009 | - t42*t43*gamma + | ^ +Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:94: + + 830 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & + | ^ +note: 't43' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:930:28: + + 930 | t158 = 0.1e1_dp/t47 + | ^ +Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:831:30: + + 831 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & + | ^ +note: 't47' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:967:22: + + 967 | t245 = t49**2 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:831:64: + + 831 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & + | ^ +note: 't49' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1006:22: + + 1006 | t376 = t5*t36 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:831:68: + + 831 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:998:58: + + 998 | *t313 - 0.80e2_dp/0.729e3_dp*t99*t195*t317 + | ^ +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:17: + + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ +note: 't59' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1034:32: + + 1034 | t42*t43/0.4e1_dp + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:21: + + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ +note: 't6' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1013:23: + + 1013 | t391 = t60*t71 + | ^ +Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:26: + + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ +note: 't60' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:923:25: + + 923 | t142 = t62*gamma + | ^ +Warning: 't62' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:31: + + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ +note: 't62' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:947:22: + + 947 | t199 = t3*t68 + | ^ +Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:51: + + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ +note: 't68' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1015:23: + + 1015 | t395 = t69*t81 + | ^ +Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:56: + + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ +note: 't69' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:948:32: + + 948 | t202 = 0.1e1_dp/t70/t35 + | ^ +Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:61: + + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ +note: 't70' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:938:25: + + 938 | t180 = t71*gamma + | ^ +Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:66: + + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ +note: 't71' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1017:24: + + 1017 | t399 = t79*t202 + | ^ +Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:91: + + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ +note: 't79' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:943:25: + + 943 | t190 = t81*gamma + | ^ +Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:96: + + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^ +note: 't81' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:932:24: + + 932 | t160 = t85*t103 + | ^ +Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:833:17: + + 833 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval + | ^ +note: 't85' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: + + 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:833:22: + + 833 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:950:23: + + 950 | t204 = t203*t9 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:833:31: + + 833 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_thomas_fermi.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_tpss.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xalpha.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbecke88.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbeef.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:579:31: + + 579 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & + | ^ +note: 't100' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:579:37: + + 579 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & + | ^ +note: 't101' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:579:43: + + 579 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & + | ^ +note: 't102' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:664:22: + + 664 | t108 = t4*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:581:42: + + 581 | t161, t164, t165, t166, t169, t17, t170, t172, t173, t19, t199, t2, t20, t202, t207, & + | ^ +note: 't17' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:705:21: + + 705 | *t166 + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:581:65: + + 581 | t161, t164, t165, t166, t169, t17, t170, t172, t173, t19, t199, t2, t20, t202, t207, & + | ^ +note: 't19' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:582:24: + + 582 | t208, t209, t21, t217, t218, t22, t220, t227, t229, t23, t234, t246, t249, t252, t255, & + | ^ +note: 't21' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:670:42: + + 670 | t120 = 0.1e1_dp/(0.1e1_dp + t118) + | ^ +Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:583:18: + + 583 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & + | ^ +note: 't26' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:707:22: + + 707 | t207 = t28**2 + | ^ +Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:583:64: + + 583 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & + | ^ +note: 't28' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: + + 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:583:85: + + 583 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & + | ^ +note: 't3' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:747:46: + + 747 | /0.2e1_dp))*sx + | ^ +Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:584:34: + + 584 | t308, t32, t320, t33, t34, t340, t341, t342, t344, t346, t349, t35, t350, t353, t354, & + | ^ +note: 't34' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:685:26: + + 685 | t157 = t3*t44*t35 + | ^ +Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:584:75: + + 584 | t308, t32, t320, t33, t34, t340, t341, t342, t344, t346, t349, t35, t350, t353, t354, & + | ^ +note: 't35' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:753:23: + + 753 | t349 = t36*t47 + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:585:24: + + 585 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 + | ^ +note: 't36' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:688:32: + + 688 | t164 = 0.1e1_dp/t55/t37 + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:585:59: + + 585 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 + | ^ +note: 't37' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^ -note: 't380' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:585:70: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:45: + 585 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 + | ^ +note: 't38' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:721:22: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^ -note: 't383' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 721 | t246 = t4*t38 + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:586:42: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't385' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:51: + 586 | REAL(KIND=dp) :: t381, t387, t39, t4, t401, t42, t422, t43, t434, t435, t436, t44, t448, & + | ^ +note: 't4' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:736:58: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^ -note: 't385' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1430:41: + 736 | *t267 - 0.80e2_dp/0.729e3_dp*t84*t157*t271 + | ^ +Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:586:87: - 1430 | *t1094 - t113*t114*t1098 - | ^ -Warning: 't389' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:63: + 586 | REAL(KIND=dp) :: t381, t387, t39, t4, t401, t42, t422, t43, t434, t435, t436, t44, t448, & + | ^ +note: 't44' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:755:23: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^ -note: 't389' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1430:41: + 755 | t353 = t45*t56 + | ^ +Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:12: - 1430 | *t1094 - t113*t114*t1098 - | ^ -Warning: 't392' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:74: + 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^ +note: 't45' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:675:25: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^ -note: 't392' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: + 675 | t134 = t47*gamma + | ^ +Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:23: - 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 - | ^ -Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:80: + 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^ +note: 't47' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:748:22: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^ -note: 't393' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: + 748 | t340 = t5*t38 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:38: - 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 - | ^ -Warning: 't395' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:86: + 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^ +note: 't5' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:687:22: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^ -note: 't395' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: + 687 | t161 = t3*t53 + | ^ +Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:53: - 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 - | ^ -Warning: 't396' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:92: + 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^ +note: 't53' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:757:23: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^ -note: 't396' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: + 757 | t357 = t54*t66 + | ^ +Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:58: - 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 - | ^ -Warning: 't398' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:13: + 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^ +note: 't54' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:688:32: - 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & - | ^ -note: 't398' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: + 688 | t164 = 0.1e1_dp/t55/t37 + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:63: - 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 - | ^ -Warning: 't399' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:19: + 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^ +note: 't55' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:678:25: - 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & - | ^ -note: 't399' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 678 | t142 = t56*gamma + | ^ +Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:68: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:34: + 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^ +note: 't56' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:759:24: - 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & - | ^ -note: 't401' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 759 | t361 = t64*t164 + | ^ +Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:93: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:40: + 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^ +note: 't64' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:683:25: - 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & - | ^ -note: 't402' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 683 | t152 = t66*gamma + | ^ +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:12: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't403' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:46: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't66' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:722:24: - 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & - | ^ -note: 't403' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1423:88: + 722 | t249 = t120*t70 + | ^ +Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:22: - 1423 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t235*t408 - t76*t1073*Clda)*sx0 - | ^ -Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:52: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't70' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: - 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & - | ^ -note: 't408' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5671:94: + 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:27: - 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) - | ^ -Warning: 'dqndrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:69: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't71' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: - 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^ -note: 'dqndrho' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5635:90: + 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:57: - 5635 | 1.0_dp/Q*(dQrho*dQndrho + d2Qrhondrho) + 1.0_dp/(Q*Q)*dQrho*dQndrho - | ^ -Warning: 'dqrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:76: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't87' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:706:53: - 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^ -note: 'dqrho' was declared here -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_se.F input_cp2k_se.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:54 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_se.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_se.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gw_communication.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_communication.F gw_communication.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:54 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_communication.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_communication.F90 -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:499:93: + 706 | t202 = -t121*t122 + t170*t88 - t71*t173*t199 + | ^ +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:62: - 499 | ei_interaction_cutoffs(3, kind_a, kind_b)) - | ^ -Warning: 'qeff_a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:68: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't88' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:690:23: - 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qeff_a' was declared here -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:499:93: + 690 | t166 = t165*t9 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:71: - 499 | ei_interaction_cutoffs(3, kind_a, kind_b)) - | ^ -Warning: 'qeff_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:76: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't9' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:76: + + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & | ^ -note: 'qeff_b' was declared here -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:477:96: +note: 't91' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: - 477 | ei_interaction_cutoffs(3, kind_a, kind_b)) - | ^ -Warning: 'qshell_a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:86: + 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:81: - 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qshell_a' was declared here -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:459:96: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't92' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:710:27: - 459 | ei_interaction_cutoffs(3, kind_a, kind_b)) - | ^ -Warning: 'qshell_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:96: + 710 | t217 = t21*t91*t93 + | ^ +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:86: - 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qshell_b' was declared here -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:398:96: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't93' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - 398 | ei_interaction_cutoffs(1, kind_a, kind_b)) - | ^ -Warning: 'qcore_a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:51: + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:91: - 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qcore_a' was declared here -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:398:96: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't94' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: - 398 | ei_interaction_cutoffs(1, kind_a, kind_b)) - | ^ -Warning: 'qcore_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:60: + 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:96: - 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^ -note: 'qcore_b' was declared here -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:382:28: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^ +note: 't95' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - 382 | IF (shell_a == 0) THEN - | ^ -Warning: 'shell_a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:98:50: + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:589:12: - 98 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type - | ^ -note: 'shell_a' was declared here -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:388:33: + 589 | t96, t97, yval + | ^ +note: 't96' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - 388 | ELSE IF (shell_b == 0) THEN - | ^ -Warning: 'shell_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:98:59: + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:589:17: - 98 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type - | ^ -note: 'shell_b' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_fxc_kernel.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_fxc_kernel.F xc_fxc_kernel.F90 + 589 | t96, t97, yval + | ^ +note: 't97' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xlda_hole_t_c_lr.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_num.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_num.F semi_empirical_int_num.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_tb.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_tb.F input_cp2k_tb.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_se.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_se.F input_cp2k_se.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gw_communication.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_communication.F gw_communication.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:565:24: 565 | t240 = t1*ndrho @@ -33636,6 +33588,7 @@ 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & | ^ note: 't321' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_tb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_tb.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:789:24: 789 | t854 = t323*t83 @@ -34566,19 +34519,97 @@ 369 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & | ^ note: 'dqrho' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:54 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_fxc_kernel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_fxc_kernel.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_fxc_kernel.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_fxc_kernel.F xc_fxc_kernel.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_se.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_se.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_num.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_num.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_communication.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_communication.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_fxc_kernel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_fxc_kernel.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_tmc.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/input_cp2k_tmc.F input_cp2k_tmc.F90 +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:499:93: + + 499 | ei_interaction_cutoffs(3, kind_a, kind_b)) + | ^ +Warning: 'qeff_a' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:68: + + 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qeff_a' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:499:93: + + 499 | ei_interaction_cutoffs(3, kind_a, kind_b)) + | ^ +Warning: 'qeff_b' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:76: + + 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qeff_b' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:477:96: + + 477 | ei_interaction_cutoffs(3, kind_a, kind_b)) + | ^ +Warning: 'qshell_a' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:86: + + 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qshell_a' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:459:96: + + 459 | ei_interaction_cutoffs(3, kind_a, kind_b)) + | ^ +Warning: 'qshell_b' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:96: + + 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qshell_b' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:398:96: + + 398 | ei_interaction_cutoffs(1, kind_a, kind_b)) + | ^ +Warning: 'qcore_a' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:51: + + 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qcore_a' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:398:96: + + 398 | ei_interaction_cutoffs(1, kind_a, kind_b)) + | ^ +Warning: 'qcore_b' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:60: + + 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^ +note: 'qcore_b' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:382:28: + + 382 | IF (shell_a == 0) THEN + | ^ +Warning: 'shell_a' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:98:50: + + 98 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type + | ^ +note: 'shell_a' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:388:33: + + 388 | ELSE IF (shell_b == 0) THEN + | ^ +Warning: 'shell_b' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:98:59: + + 98 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type + | ^ +note: 'shell_b' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/input_cp2k_tmc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' input_cp2k_tmc.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_poisson_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_poisson_methods.F pw_poisson_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:54 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/input_cp2k_tmc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' input_cp2k_tmc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_poisson_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_subsys.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_subsys.F input_cp2k_subsys.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_p_env_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_p_env_types.F qs_p_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_p_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_subsys.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_subsys.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4750:24: 4750 | t256 = t1*ndrho @@ -37139,19 +37170,26 @@ 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & | ^ note: 'dqrho' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_subsys.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_subsys.F input_cp2k_subsys.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_poisson_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_subsys.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_subsys.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_p_env_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_p_env_types.F qs_p_env_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_perdew86.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew86.F xc_perdew86.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_p_env_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_vwn.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbecke88.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbecke88_long_range.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbecke_roussel.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew86.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_perdew86.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xpbe_hole_t_c_lr.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_num.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew86.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_perdew86.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_tb.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_se.mod' due to: target does not exist @@ -37160,12 +37198,12 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_debug.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_debug.F semi_empirical_int_debug.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_p_env_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_tmc.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xbr_pbe_lda_hole_t_c_lr.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F xc_xbr_pbe_lda_hole_t_c_lr.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbr_pbe_lda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbr_pbe_lda_hole_t_c_lr.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_debug.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbr_pbe_lda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbr_pbe_lda_hole_t_c_lr.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:3905:24: 3905 | t295 = t1*ndrho @@ -38046,16 +38084,6 @@ 3693 | t713, t714, t717, t718, t72, t721, t724, t725, t727, t73, t74, t743, t746, t748, t75, & | ^ note: 't72' was declared here -/build/reproducible-path/cp2k-2025.1/src/gw_communication.F:308:42: - - 308 | ALLOCATE (row_block_from_index(nmo)) - | ^ -Warning: 'nmo' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/gw_communication.F:149:36: - - 149 | nblkrows_total, ngroup, nmo, num_blocks, offset, row, row_from_buffer, row_offset, & - | ^ -note: 'nmo' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:3899:19: 3899 | *t5 @@ -40340,21 +40368,24 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F semi_empirical_int_ana.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_qs.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_qs.F input_cp2k_qs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_qs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_ana.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_ana.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_tmc.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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_ana.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_ana.F90 +/build/reproducible-path/cp2k-2025.1/src/gw_communication.F:308:42: + + 308 | ALLOCATE (row_block_from_index(nmo)) + | ^ +Warning: 'nmo' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/gw_communication.F:149:36: + + 149 | nblkrows_total, ngroup, nmo, num_blocks, offset, row, row_from_buffer, row_offset, & + | ^ +note: 'nmo' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_qs.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_p_env_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_perdew86.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbecke88_long_range.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbr_pbe_lda_hole_t_c_lr.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_parameters.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_utils.F semi_empirical_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_utils.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:2950:24: 2950 | t382 = t1*ndrho @@ -42195,8 +42226,6 @@ 2683 | t387, t388, t389, t39, t391, t392, t395, t396, t4, t400, t403, t404, t405, t407, t409, & | ^ note: 't389' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gw_communication.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:3223:132: 3223 | *t355) - (48._dp*t400*t361)) @@ -43847,6 +43876,8 @@ 2654 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & | ^ note: 'dqrho' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gw_communication.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a" /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_poisson_methods.mod' due to: target does not exist @@ -43854,21 +43885,15 @@ Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a rs_methods.o realspace_grid_types.o realspace_grid_cube.o pw_types.o pw_spline_utils.o pw_pool_types.o pw_poisson_types.o pw_poisson_methods.o pw_methods.o pw_grids.o pw_grid_types.o pw_grid_info.o pw_gpu.o pw_fpga.o pw_copy_all.o ps_wavelet_util.o ps_wavelet_types.o ps_wavelet_scaling_function.o ps_wavelet_methods.o ps_wavelet_kernel.o ps_wavelet_fft3d.o ps_wavelet_base.o ps_implicit_types.o ps_implicit_methods.o mt_util.o lazy.o fft_tools.o dirichlet_bc_types.o dirichlet_bc_methods.o dielectric_types.o dielectric_methods.o dgs.o dg_types.o dg_rho0_types.o dct.o cube_utils.o cp_linked_list_pw.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kpw.a +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_qs.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_pw_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewald_pw_types.F ewald_pw_types.F90 /build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:190: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:186: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_pw_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_nonbond_force.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_qs.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kind_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_kind_types.F qs_kind_types.F90 +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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_pw_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_subsys.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cell_methods.o' due to: target does not exist @@ -43879,11 +43904,12 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_thermostats.F input_cp2k_thermostats.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'shg_integrals_test.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_integrals_test.F shg_integrals_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kind_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_motion_print.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_motion_print.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cell_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cell_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_thermostats.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_thermostats.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_integrals_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' shg_integrals_test.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cell_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cell_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_motion_print.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_motion_print.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_thermostats.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_thermostats.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_integrals_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' shg_integrals_test.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_nonbond_force.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1810:24: 1810 | t419 = t1*ndrho @@ -46174,6 +46200,8 @@ 1519 | t475, t478, t479, t48, t481, t486, t49, t493, t495, t498, t499, t5, t502, t503, t504, & | ^ note: 't481' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_parameters.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:2410:131: 2410 | - t553*t77*t1236)/0.2e1_dp) @@ -47489,8 +47517,6 @@ 2375 | t836 - t80*(t1663 + t1802 + t1898 + t2028)*Clda | ^ Warning: 't836' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_motion_print.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1531:48: 1531 | t820, t823, t826, t83, t832, t834, t836, t84, t842, t845, t846, t848, t849, t85, t851, & @@ -47676,6 +47702,8 @@ 1532 | t865, t867, t87, t870, t871, t873, t874, t876, t877, t88, t880, t884, t885, t888, t889, & | ^ note: 't889' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_utils.F semi_empirical_utils.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:2410:131: 2410 | - t553*t77*t1236)/0.2e1_dp) @@ -47976,20 +48004,6 @@ 1480 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1001, & | ^ note: 'dqrho' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_loc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_loc.F input_cp2k_loc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_pw_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_pw_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewald_pw_methods.F ewald_pw_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewalds.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewalds.F ewalds.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_loc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_loc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pme.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pme.F pme.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewalds.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_pw_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pme.F90 /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F:512:93: 512 | dscale = dscale + dzz*fni1(ig)*EXP(-ax) - dax*zz*fni1(ig)*EXP(-ax) @@ -48000,13 +48014,12 @@ 359 | dscale, dssss, dssss_sr, dtmp, dzz, enuc_loc, pai, paj, pbi, pbj, qcorr, rij, rija, & | ^ note: 'dzz' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'spme.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/spme.F spme.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_thermostats.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spme.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' spme.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_motion_print.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_loc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_loc.F input_cp2k_loc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_loc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_loc.F90 /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F:282:108: 282 | core(10, n)*(ij_matrix%dd_d(1, idd, 4, 4) + ij_matrix%dd_d(1, idd, 5, 5)) @@ -48037,100 +48050,121 @@ 105 | REAL(KIND=dp), DIMENSION(3) :: drij | ^ note: 'drij[2]' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_neb.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_neb.F input_cp2k_neb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_neb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_neb.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_methods.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_spline_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewald_spline_util.F ewald_spline_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ipi_server.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ipi_server.F ipi_server.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_cif.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_cif.F topology_cif.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_spline_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_spline_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_server.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ipi_server.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_xtl.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_xtl.F topology_xtl.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_spline_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_spline_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_neighbor_list_control.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_neighbor_list_control.F fist_neighbor_list_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_server.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ipi_server.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cif.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_cif.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_thermostats.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_pw_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile: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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_neighbor_list_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xtl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_xtl.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_neb.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_neb.F input_cp2k_neb.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_pw_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewald_pw_methods.F ewald_pw_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_neb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_neb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_pw_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewalds.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewalds.F ewalds.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pme.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pme.F pme.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewalds.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pme.F90 /build/reproducible-path/cp2k-2025.1/src/shg_integrals_test.F:261:75: 261 | lmax = MAX(MAX(lamax + lcamax, lbmax), MAX(lamax, lbmax + lcbmax)) | ^ Warning: 'lcamax' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cif.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_cif.F90 /build/reproducible-path/cp2k-2025.1/src/shg_integrals_test.F:212:73: 212 | lbmax, lcamax, lcbmax, lmax, nab, & | ^ note: 'lcamax' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_xtl.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_xtl.F topology_xtl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:10:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xtl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_xtl.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_pw_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/pme.F:224:11: - - 224 | DO - | ^ -Warning: 'rpot' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pme.F:129:70: - - 129 | TYPE(realspace_grid_type), POINTER :: rden, rpot - | ^ -note: 'rpot' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewalds.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_neighbor_list_control.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_neighbor_list_control.F fist_neighbor_list_control.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_ana.mod' due to: target does not exist -true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'spme.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/spme.F spme.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_loc.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_neb.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'shg_integrals_test.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ipi_server.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_as.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_as.F input_cp2k_as.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_neighbor_list_control.F90 /build/reproducible-path/cp2k-2025.1/Makefile: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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_as.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_as.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xwpbe.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_pw_methods.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spme.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' spme.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_as.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_as.F input_cp2k_as.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kind_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_kind_types.F qs_kind_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_as.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_as.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kind_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'shg_integrals_test.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_xtl.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pme.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_neighbor_list_control.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewalds_multipole.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewalds_multipole.F ewalds_multipole.F90 +/build/reproducible-path/cp2k-2025.1/Makefile: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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds_multipole.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewalds_multipole.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_as.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_spline_util.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_ddapc_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_ddapc_types.F cp_ddapc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'spme.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_methods_tb.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewald_methods_tb.F ewald_methods_tb.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_as.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/pme.F:224:11: + + 224 | DO + | ^ +Warning: 'rpot' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pme.F:129:70: + + 129 | TYPE(realspace_grid_type), POINTER :: rden, rpot + | ^ +note: 'rpot' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewalds.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_methods_tb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_methods_tb.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_neighbor_list_control.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pme.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewalds_multipole.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewalds_multipole.F ewalds_multipole.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds_multipole.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewalds_multipole.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_ddapc_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/ewald_methods_tb.F:332:58: +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'spme.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_methods_tb.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewald_methods_tb.F ewald_methods_tb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_methods_tb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_methods_tb.F90 +/build/reproducible-path/cp2k-2025.1/src/ewalds_multipole.F:554:34: - 332 | pfr = -dfr*mcharge(iatom)*mcharge(jatom) - | ^ -Warning: 'dfr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/ewald_methods_tb.F:303:63: + 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-2025.1/src/ewalds_multipole.F:554:40: - 303 | REAL(KIND=dp) :: dfr, dr, fr, pfr, rij(3) - | ^ -note: 'dfr' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_methods_tb.mod' due to: target does not exist -true + 554 | REAL(KIND=dp) :: alpha, ch_i, ch_j, ef0_i, ef0_j, eloc, fac, fac_ij, ir, irab2, ptens11, & + | ^ +Warning: 'ch_j' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:3363:39: 3363 | t306 = 0.1e1_dp/t10/t224 @@ -54471,16 +54505,18 @@ 3173 | t99, t991, t995, t997, xx | ^ note: 't997' was declared here -/build/reproducible-path/cp2k-2025.1/src/ewalds_multipole.F:554:34: +/build/reproducible-path/cp2k-2025.1/src/ewald_methods_tb.F:332:58: - 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-2025.1/src/ewalds_multipole.F:554:40: + 332 | pfr = -dfr*mcharge(iatom)*mcharge(jatom) + | ^ +Warning: 'dfr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/ewald_methods_tb.F:303:63: - 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] + 303 | REAL(KIND=dp) :: dfr, dr, fr, pfr, rij(3) + | ^ +note: 'dfr' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_methods_tb.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kind_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_cdft_types.o' due to: target does not exist @@ -54495,36 +54531,34 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_integral_utils.F qs_integral_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_harris_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_harris_types.F qs_harris_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_cdft_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_types.F qs_linres_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_subsys_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_subsys_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sap_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' sap_kind_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_atomic_halo_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_atomic_halo_types.F qs_fb_atomic_halo_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_cdft_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integral_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_integral_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'distribution_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/distribution_methods.F distribution_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harris_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_harris_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"particle_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' particle_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sap_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' sap_kind_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integral_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_integral_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' distribution_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_halo_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_atomic_halo_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"particle_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' particle_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harris_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_harris_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_halo_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_atomic_halo_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' distribution_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atomic_charges.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atomic_charges.F atomic_charges.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_linres_types.F:1021:35: +/build/reproducible-path/cp2k-2025.1/src/ewalds_multipole.F:378:40: - 1021 | SUBROUTINE deallocate_jrho_coeff(jrho1_atom_set, iatom) - | ^ -Warning: 'deallocate_jrho_coeff' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_linres_types.F:1060:27: + 378 | REAL(KIND=dp) :: alpha, beta, ch_i, ch_j, dampa_ij, dampa_ji, dampaexpi, dampaexpj, & + | ^ +Warning: 'ch_i' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/ewalds_multipole.F:378:46: - 1060 | SUBROUTINE get_jrho_atom(jrho1_atom_set, iatom, cjc_h, cjc_s, cjc_ii_h, cjc_ii_s, & - | ^ -Warning: 'get_jrho_atom' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atomic_charges.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atomic_charges.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'core_ae.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/core_ae.F core_ae.F90 + 378 | REAL(KIND=dp) :: alpha, beta, ch_i, ch_j, dampa_ij, dampa_ji, dampaexpi, dampaexpj, & + | ^ +Warning: 'ch_j' may be used uninitialized [-Wmaybe-uninitialized] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atomic_charges.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atomic_charges.F90 /build/reproducible-path/cp2k-2025.1/src/qs_fb_atomic_halo_types.F:166:38: 166 | SUBROUTINE fb_atomic_halo_associate(a, b) @@ -54540,34 +54574,33 @@ 685 | SUBROUTINE fb_atomic_halo_list_write(atomic_halos, para_env, fb_section) | ^ Warning: 'fb_atomic_halo_list_write' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ae.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' core_ae.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'core_ppl.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/core_ppl.F core_ppl.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_linres_types.F:1021:35: + + 1021 | SUBROUTINE deallocate_jrho_coeff(jrho1_atom_set, iatom) + | ^ +Warning: 'deallocate_jrho_coeff' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_linres_types.F:1060:27: + + 1060 | SUBROUTINE get_jrho_atom(jrho1_atom_set, iatom, cjc_h, cjc_s, cjc_ii_h, cjc_ii_s, & + | ^ +Warning: 'get_jrho_atom' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'core_ae.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/core_ae.F core_ae.F90 /build/reproducible-path/cp2k-2025.1/src/atomic_charges.F:136:30: 136 | SUBROUTINE print_multipoles(particle_set, qs_kind_set, scr, charge, dipole, quadrupole) | ^ Warning: 'print_multipoles' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'core_ppl.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/core_ppl.F core_ppl.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_interactions.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_interactions.F qs_interactions.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' core_ppl.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ae.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' core_ae.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' core_ppl.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'auto_basis.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/auto_basis.F auto_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_interactions.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_interactions.F90 -/build/reproducible-path/cp2k-2025.1/src/sap_kind_types.F:616:91: - - 616 | sab(1:na, first_col:first_col + nprjc - 1) = ai_work(1:na, 1:nprjc, i) - | ^ -Warning: 'nprjc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/sap_kind_types.F:300:92: - - 300 | maxppnl, maxsgf, na, nb, ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, & - | ^ -note: 'nprjc' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"auto_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' auto_basis.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb_parameters.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb_parameters.F qs_dftb_parameters.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_parameters.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_parameters.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_interactions.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_interactions.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"auto_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' auto_basis.F90 /build/reproducible-path/cp2k-2025.1/src/auto_basis.F:573:29: 573 | SUBROUTINE overlap_maximum(lm, npgf, nfun, zet, gcc, nfit, afit, amet, eval) @@ -54583,16 +54616,19 @@ 674 | SUBROUTINE get_basis_functions(basis_set, lin, np, nf, zval, gcval) | ^ Warning: 'get_basis_functions' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/ewalds_multipole.F:378:40: +/build/reproducible-path/cp2k-2025.1/src/sap_kind_types.F:616:91: - 378 | REAL(KIND=dp) :: alpha, beta, ch_i, ch_j, dampa_ij, dampa_ji, dampaexpi, dampaexpj, & - | ^ -Warning: 'ch_i' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/ewalds_multipole.F:378:46: + 616 | sab(1:na, first_col:first_col + nprjc - 1) = ai_work(1:na, 1:nprjc, i) + | ^ +Warning: 'nprjc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/sap_kind_types.F:300:92: - 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] + 300 | maxppnl, maxsgf, na, nb, ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, & + | ^ +note: 'nprjc' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb_parameters.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb_parameters.F qs_dftb_parameters.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_parameters.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_parameters.F90 /build/reproducible-path/cp2k-2025.1/src/auto_basis.F:65:77: 65 | INTEGER :: i, j, jj, l, laux, linc, lmax, lval, lx, & @@ -54600,10 +54636,10 @@ Warning: 'laux' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_expns3_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_expns3_methods.F semi_empirical_expns3_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_expns3_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_expns3_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molden_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/molden_utils.F molden_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:06 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molden_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molden_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molden_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molden_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_cdft_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_subsys_types.mod' due to: target does not exist @@ -54616,7 +54652,7 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_types.F qs_ks_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:06 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_atomic_halo_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atomic_charges.mod' due to: target does not exist @@ -54625,44 +54661,36 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_atom_map.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_atom_map.F negf_atom_map.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_atom_map.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_atom_map.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_atom_map.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_atom_map.F90 +/build/reproducible-path/cp2k-2025.1/src/molden_utils.F:82:67: + + 82 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: cmatrix, smatrix + | ^ +Warning: 'cmatrix.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'auto_basis.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_expns3_methods.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molden_utils.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'commutator_rkinetic.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/commutator_rkinetic.F commutator_rkinetic.F90 -/build/reproducible-path/cp2k-2025.1/src/distribution_methods.F:271:48: - - 271 | bin_price = workload_fill(ipe) - | ^ -Warning: 'ipe' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/distribution_methods.F:123:49: - - 123 | imolecule_prev_kind, iparticle_kind, ipe, iw, kind_a, molecule_a, n, natom, nbins, nload, & - | ^ -note: 'ipe' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rkinetic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' commutator_rkinetic.F90 -/build/reproducible-path/cp2k-2025.1/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] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rkinetic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' commutator_rkinetic.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_atomic_matrix_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_atomic_matrix_methods.F qs_fb_atomic_matrix_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_atomic_matrix_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_atomic_matrix_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_vectors.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_vectors.F negf_vectors.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_vectors.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_vectors.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_mincrawl.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/glbopt_mincrawl.F glbopt_mincrawl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_vectors.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_vectors.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_environment_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_environment_types.F mixed_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_mincrawl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_mincrawl.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pwdft_environment_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pwdft_environment_types.F pwdft_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pwdft_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_mincrawl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_mincrawl.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pwdft_environment_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'sap_kind_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_types.o' due to: target does not exist @@ -54673,18 +54701,27 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_env_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_env_types.F qs_fb_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'distribution_methods.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_env_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_cp2k_link.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_cp2k_link.F cp_dbcsr_cp2k_link.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cp2k_link.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_cp2k_link.F90 +/build/reproducible-path/cp2k-2025.1/src/distribution_methods.F:271:48: + + 271 | bin_price = workload_fill(ipe) + | ^ +Warning: 'ipe' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/distribution_methods.F:123:49: + + 123 | imolecule_prev_kind, iparticle_kind, ipe, iw, kind_a, molecule_a, n, natom, nbins, nload, & + | ^ +note: 'ipe' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewalds_multipole.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'task_list_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/task_list_methods.F task_list_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cp2k_link.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_cp2k_link.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mulliken.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mulliken.F mulliken.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' task_list_methods.F90 /build/reproducible-path/cp2k-2025.1/src/qs_fb_env_types.F:97:27: 97 | SUBROUTINE fb_env_retain(fb_env) @@ -54700,21 +54737,16 @@ 207 | SUBROUTINE fb_env_init(fb_env) | ^ Warning: 'fb_env_init' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mulliken.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mulliken.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' task_list_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mulliken.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mulliken.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'commutator_rpnl.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/commutator_rpnl.F commutator_rpnl.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rpnl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' commutator_rpnl.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_oce_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_oce_methods.F qs_oce_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rpnl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' commutator_rpnl.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'core_ppnl.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/core_ppnl.F core_ppnl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_oce_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppnl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' core_ppnl.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_oce_methods.F:338:32: - - 338 | SUBROUTINE build_oce_block_1c(oceh, oces, atom_ka, sgf_list, nsgf_cnt, eps_fit) - | ^ -Warning: 'build_oce_block_1c' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_oce_methods.F90 /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_cp2k_link.F:485:13: 485 | IF (jatom /= last_jatom) THEN @@ -54725,12 +54757,11 @@ 455 | irow, jatom, last_jatom, nadd | ^ note: 'last_jatom' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppnl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' core_ppnl.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_atom_map.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_parameters.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molden_utils.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'commutator_rkinetic.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_atomic_matrix_methods.mod' due to: target does not exist @@ -54745,71 +54776,71 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_oce_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_oce_types.F qs_oce_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_oce_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_oce_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_env_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'distribution_methods.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_cp2k_link.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_pol_scf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_pol_scf.F fist_pol_scf.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_overlap.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_overlap.F qs_overlap.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_oce_methods.F:338:32: + + 338 | SUBROUTINE build_oce_block_1c(oceh, oces, atom_ka, sgf_list, nsgf_cnt, eps_fit) + | ^ +Warning: 'build_oce_block_1c' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_pol_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_pol_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_overlap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_overlap.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpoint_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F kpoint_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kg_tnadd_mat.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kg_tnadd_mat.F kg_tnadd_mat.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_matrix_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_matrix_utils.F negf_matrix_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_filter_matrix_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_filter_matrix_methods.F qs_fb_filter_matrix_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_matrix_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_matrix_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_filter_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_filter_matrix_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_fb_filter_matrix_methods.F:1432:39: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_tnadd_mat.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_tnadd_mat.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_matrix_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_matrix_utils.F90 +/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:1595:22: - 1432 | SUBROUTINE fb_fltrmat_fermi_dirac_ne(f, eigenvals, T, ne, maxocc) - | ^ -Warning: 'fb_fltrmat_fermi_dirac_ne' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_oce_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_types.F qs_scf_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_types.F90 + 1595 | SUBROUTINE matprint(mat) + | ^ +Warning: 'matprint' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/src/task_list_methods.F:2156:38: 2156 | tasks(indices(1))%pair_index = 1 | ^ Warning: 'MEM [(integer(kind=4)[0:] *)_221][0]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_global.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_global.F input_cp2k_global.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_filter_matrix_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_filter_matrix_methods.F qs_fb_filter_matrix_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_filter_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_filter_matrix_methods.F90 /build/reproducible-path/cp2k-2025.1/src/task_list_methods.F:1014:66: 1014 | ilocal, k, maxdest, Ncpu, Nflux | ^ Warning: 'ilocal' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_global.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_global.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewalds_multipole.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbecke88_lr_adiabatic.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_overlap.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_overlap.F qs_overlap.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_overlap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_overlap.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mulliken.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpoint_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F kpoint_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kg_tnadd_mat.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kg_tnadd_mat.F kg_tnadd_mat.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_matrix_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_filter_matrix_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eri_mme_lattice_summation.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'admm_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_types.F admm_types.F90 -/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_tnadd_mat.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_tnadd_mat.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_pol_scf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_pol_scf.F fist_pol_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_derivatives.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_derivatives.F xc_derivatives.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_pol_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_pol_scf.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:270:10: + + 270 | IF (dokp) THEN + | ^ +Warning: 'dokp' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:194:89: + + 194 | LOGICAL :: do_forces, do_symmetric, dokp, found, & + | ^ +note: 'dokp' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:313:46: + + 313 | !$OMP REDUCTION (+ : pv_thread, force_thread ) + | ^ +Warning: 'use_cell_mapping' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:195:83: + + 195 | trans, use_cell_mapping, use_virial + | ^ +note: 'use_cell_mapping' was declared here /build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:81: 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & @@ -54962,91 +54993,15 @@ 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & | ^ note: 'alkint.dim[2].lbound' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivatives.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_derivatives.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_oce_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'core_ae.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'smeagol_matrix_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F smeagol_matrix_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"smeagol_matrix_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' smeagol_matrix_utils.F90 -/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:1595:22: - - 1595 | SUBROUTINE matprint(mat) - | ^ -Warning: 'matprint' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/task_list_methods.F:401:46: - - 401 | task_list%npairs(igrid_level) = ipair - | ^ -Warning: 'igrid_level' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/task_list_methods.F:135:77: - - 135 | INTEGER :: cindex, curr_tasks, handle, i, iatom, iatom_old, igrid_level, igrid_level_old, & - | ^ -note: 'igrid_level' was declared here -/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:1631:19: - - 1631 | END IF - | ^ -Warning: 'irow_proc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:1585:81: - - 1585 | LOGICAL :: do_distribute, is_root_rank - | ^ -note: 'irow_proc' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_lanczos.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_lanczos.F qs_scf_lanczos.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_error_control.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_error_control.F eri_mme_error_control.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_env_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_env_types.F xas_env_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_global.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_lanczos.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_lanczos.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_pol_scf.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_derivatives.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'task_list_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_tnadd_mat.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_oce_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_write_output.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc_write_output.F xc_write_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_error_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_error_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_env_types.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:270:10: - - 270 | IF (dokp) THEN - | ^ -Warning: 'dokp' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:194:89: - - 194 | LOGICAL :: do_forces, do_symmetric, dokp, found, & - | ^ -note: 'dokp' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:313:46: - - 313 | !$OMP REDUCTION (+ : pv_thread, force_thread ) - | ^ -Warning: 'use_cell_mapping' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:195:83: - - 195 | trans, use_cell_mapping, use_virial - | ^ -note: 'use_cell_mapping' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_write_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xc_write_output.F90 -/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:944:22: - - 944 | send_buffer(offset_send_mepos + 1:offset_send_mepos + ncols_local) = & - | ^ -Warning: 'irow_proc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:810:40: +/build/reproducible-path/cp2k-2025.1/src/qs_fb_filter_matrix_methods.F:1432:39: - 810 | INTEGER(kind=int_8) :: n_nonzero_elements_dbcsr, & - | ^ -note: 'irow_proc' was declared here + 1432 | SUBROUTINE fb_fltrmat_fermi_dirac_ne(f, eigenvals, T, ne, maxocc) + | ^ +Warning: 'fb_fltrmat_fermi_dirac_ne' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_types.F qs_scf_types.F90 /build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:868:50: 868 | !$OMP REDUCTION (+ : virial_thread, force_thread ) @@ -55067,6 +55022,50 @@ 803 | use_cell_mapping, use_virial | ^ note: 'use_cell_mapping' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_global.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_global.F input_cp2k_global.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_pol_scf.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbecke88_lr_adiabatic.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mulliken.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_oce_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'core_ae.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_global.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_global.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_tnadd_mat.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eri_mme_lattice_summation.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'admm_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_types.F admm_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_derivatives.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_derivatives.F xc_derivatives.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivatives.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_derivatives.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_overlap.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_matrix_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_error_control.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_error_control.F eri_mme_error_control.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kinetic.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_kinetic.F qs_kinetic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_error_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_error_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kinetic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kinetic.F90 +/build/reproducible-path/cp2k-2025.1/src/task_list_methods.F:401:46: + + 401 | task_list%npairs(igrid_level) = ipair + | ^ +Warning: 'igrid_level' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/task_list_methods.F:135:77: + + 135 | INTEGER :: cindex, curr_tasks, handle, i, iatom, iatom_old, igrid_level, igrid_level_old, & + | ^ +note: 'igrid_level' was declared here /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_error_control.F:356:40: 356 | zet_c = zet_b - gr*(zet_b - zet_a) @@ -55087,85 +55086,98 @@ 297 | G_1, G_c, gr, zet_a, zet_b, zet_c, zet_d, zet_div, zet_max_tmp | ^ note: 'zet_a' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cell_opt_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cell_opt_utils.F cell_opt_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_output.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_output.F atom_output.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc.F xc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_overlap.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_write_output.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'smeagol_matrix_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F smeagol_matrix_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_filter_matrix_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eri_mme_error_control.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kinetic.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_kinetic.F qs_kinetic.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cell_opt_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_types.F eri_mme_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kinetic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kinetic.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc.F90 -/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:729:22: - - 729 | reorder_recv_buffer(offset_send_mepos + 1:offset_send_mepos + ncols_local) = & - | ^ -Warning: 'irow_proc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:430:69: - - 430 | inode_proc, iproc, irequest, irow_blk, irow_local, irow_proc, mepos, n_image_ind, & - | ^ -note: 'irow_proc' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"smeagol_matrix_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' smeagol_matrix_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_env_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_env_types.F xas_env_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_global.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_derivatives.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_lanczos.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_lanczos.F qs_scf_lanczos.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:01:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_lanczos.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_lanczos.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cell_opt_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cell_opt_utils.F cell_opt_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cell_opt_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eri_mme_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_output.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_output.F atom_output.F90 /build/reproducible-path/cp2k-2025.1/src/motion/cell_opt_utils.F:125:47: 125 | new_logger%iter_info%project_name = c_val | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_env_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'admm_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_utils.F admm_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_opt_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eri_mme_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mo_occupation.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mo_occupation.F qs_mo_occupation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_occupation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mo_occupation.F90 -/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:289:10: +/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:394:26: - 289 | IF (nrows_local == 0) nrows_local = 1 - | ^ -Warning: 'nrows_local' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:179:85: + 394 | nkp_grp = npe/ngr + | ^ +Warning: 'ngr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:303:85: - 179 | irow_local, natoms, ncells_siesta_total, ncols_blk, ncols_total, nrows_local, & + 303 | INTEGER :: handle, igr, ik, ikk, ngr, niogrp, nkp, & | ^ -note: 'nrows_local' was declared here -/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:365:97: +note: 'ngr' declared here +/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:394:26: - 365 | siesta_struct%xa(1:3, siesta_struct%iaorb(irow)) - | ^ -Warning: 'irow' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:178:89: + 394 | nkp_grp = npe/ngr + | ^ +Warning: 'ngr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:303:85: - 178 | INTEGER :: handle, iatom, icol, icol_blk, icol_local, image, image_j, image_k, irow, & - | ^ -note: 'irow' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_integrate.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_integrate.F eri_mme_integrate.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_integrate.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_integrate.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_lanczos.mod' due to: target does not exist + 303 | INTEGER :: handle, igr, ik, ikk, ngr, niogrp, nkp, & + | ^ +note: 'ngr' declared here +/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:394:26: + + 394 | nkp_grp = npe/ngr + | ^ +Warning: 'ngr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:303:85: + + 303 | INTEGER :: handle, igr, ik, ikk, ngr, niogrp, nkp, & + | ^ +note: 'ngr' declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc.F xc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'admm_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_utils.F admm_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'task_list_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_output.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_write_output.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc_write_output.F xc_write_output.F90 +/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:1631:19: + + 1631 | END IF + | ^ +Warning: 'irow_proc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:1585:81: + + 1585 | LOGICAL :: do_distribute, is_root_rank + | ^ +note: 'irow_proc' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_write_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xc_write_output.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_opt_utils.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_integrate.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_integrate.F eri_mme_integrate.F90 /build/reproducible-path/cp2k-2025.1/src/qs_kinetic.F:244:10: 244 | IF (dokp) THEN @@ -55186,9 +55198,35 @@ 176 | trans, use_cell_mapping, use_virial | ^ note: 'use_cell_mapping' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_env_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mo_occupation.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mo_occupation.F qs_mo_occupation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_integrate.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_integrate.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_occupation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mo_occupation.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_lanczos.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_write_output.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kinetic.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'smeagol_matrix_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:944:22: + + 944 | send_buffer(offset_send_mepos + 1:offset_send_mepos + ncols_local) = & + | ^ +Warning: 'irow_proc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:810:40: + + 810 | INTEGER(kind=int_8) :: n_nonzero_elements_dbcsr, & + | ^ +note: 'irow_proc' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'core_ppl.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_output.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_mo_occupation.F:153:26: @@ -55210,44 +55248,22 @@ 67 | lfomo_a, lfomo_b, nmo_a, nmo_b, & | ^ note: 'lfomo_b' declared here +/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:729:22: + + 729 | reorder_recv_buffer(offset_send_mepos + 1:offset_send_mepos + ncols_local) = & + | ^ +Warning: 'irow_proc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:430:69: + + 430 | inode_proc, iproc, irequest, irow_blk, irow_local, irow_proc, mepos, n_image_ind, & + | ^ +note: 'irow_proc' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mo_occupation.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mo_io.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mo_io.F qs_mo_io.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mo_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mo_methods.F qs_mo_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:394:26: - - 394 | nkp_grp = npe/ngr - | ^ -Warning: 'ngr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:303:85: - - 303 | INTEGER :: handle, igr, ik, ikk, ngr, niogrp, nkp, & - | ^ -note: 'ngr' declared here -/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:394:26: - - 394 | nkp_grp = npe/ngr - | ^ -Warning: 'ngr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:303:85: - - 303 | INTEGER :: handle, igr, ik, ikk, ngr, niogrp, nkp, & - | ^ -note: 'ngr' declared here -/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:394:26: - - 394 | nkp_grp = npe/ngr - | ^ -Warning: 'ngr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:303:85: - - 303 | INTEGER :: handle, igr, ik, ikk, ngr, niogrp, nkp, & - | ^ -note: 'ngr' declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mo_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mo_methods.F90 /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_integrate.F:718:39: 718 | /vol*mone_lb @@ -55268,8 +55284,28 @@ 332 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: S_G_0 | ^ note: 's_g_0.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mo_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mo_methods.F90 +/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:289:10: + + 289 | IF (nrows_local == 0) nrows_local = 1 + | ^ +Warning: 'nrows_local' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:179:85: + + 179 | irow_local, natoms, ncells_siesta_total, ncols_blk, ncols_total, nrows_local, & + | ^ +note: 'nrows_local' was declared here +/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:365:97: + + 365 | siesta_struct%xa(1:3, siesta_struct%iaorb(irow)) + | ^ +Warning: 'irow' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:178:89: + + 178 | INTEGER :: handle, iatom, icol, icol_blk, icol_local, image, image_j, image_k, irow, & + | ^ +note: 'irow' was declared here /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_integrate.F:93:63: 93 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: S_G @@ -55279,8 +55315,8 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_test.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_test.F eri_mme_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:19 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_test.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_test.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'smeagol_matrix_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_mo_io.F:1224:61: @@ -55314,6 +55350,14 @@ note: 'cmatrix.dim[1].stride' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mo_methods.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_test.F:77:73: + + 77 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: I_diff, I_ref, I_test + | ^ +Warning: 'i_ref.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_test.F:77:73: Warning: 'i_ref.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_test.F:77:73: Warning: 'i_ref.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_test.F:77:73: Warning: 'i_ref.dim[3].stride' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/qs_mo_io.F:881:31: 881 | IF (iset_read > nset_info(iatom)) use_this = .FALSE. @@ -55419,14 +55463,6 @@ 689 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: vecbuffer, vecbuffer_read | ^ note: 'vecbuffer_read.dim[1].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_test.F:77:73: - - 77 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: I_diff, I_ref, I_test - | ^ -Warning: 'i_ref.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_test.F:77:73: Warning: 'i_ref.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_test.F:77:73: Warning: 'i_ref.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_test.F:77:73: Warning: 'i_ref.dim[3].stride' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eri_mme_test.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2keri_mme.a' due to: target does not exist @@ -55436,7 +55472,7 @@ ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2keri_mme.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_eri_mme_interface.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_eri_mme_interface.F cp_eri_mme_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_eri_mme_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_eri_mme_interface.F90 /build/reproducible-path/cp2k-2025.1/src/commutator_rpnl.F:1941:69: 1941 | !$ hash = MOD((iatom - 1)*natom + jatom, nlock) + 1 @@ -55453,8 +55489,8 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_io.F kpoint_io.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_wfn_mix.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_wfn_mix.F qs_scf_wfn_mix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_wfn_mix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_wfn_mix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_wfn_mix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_wfn_mix.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_eri_mme_interface.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_types_low.o' due to: target does not exist @@ -55463,13 +55499,11 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_mp2.F input_cp2k_mp2.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_qmmm.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_qmmm.F input_cp2k_qmmm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types_low.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_types_low.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mp2.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_mp2.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qmmm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_qmmm.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types_low.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_types_low.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mp2.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_mp2.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qmmm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_qmmm.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_wfn_mix.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_io.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_types_low.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_environment_types.o' due to: target does not exist @@ -55482,14 +55516,16 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_util.F topology_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_links_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_links_methods.F qmmm_links_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_environment_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_elpot.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_topology_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_topology_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_all.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields_all.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_links_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_links_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_elpot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_elpot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_topology_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_topology_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_all.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields_all.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_links_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_links_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_elpot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_elpot.F90 /build/reproducible-path/cp2k-2025.1/src/topology_util.F:977:61: 977 | upper_sym_1 = id2str(atom_info%id_element(iatom)) @@ -55497,31 +55533,19 @@ Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_per_elpot.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_per_elpot.F qmmm_per_elpot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_per_elpot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_per_elpot.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_pw_grid.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_pw_grid.F qmmm_pw_grid.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_per_elpot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_per_elpot.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_topology_util.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_links_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_qmmm.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_pw_grid.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_pw_grid.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_elpot.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_environment_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_pw_grid.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_pw_grid.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_topology_util.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:458:111: - - 458 | work(1:np, 1:nb) = MATMUL(sab(1:np, first_col:first_col + nprjc - 1), cprj(1:nprjc, 1:nb)) - | ^ -Warning: 'nprjc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:118:90: - - 118 | maxsgf, na, natom, nb, ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, nseta, & - | ^ -note: 'nprjc' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_pw_grid.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_environment_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qmmm_per_elpot.F:184:54: @@ -55533,13 +55557,15 @@ 98 | REAL(KIND=dp) :: Ak, alpha, box(3), Fac(3), fs, g, g2, & | ^ note: 'fs' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_pw_grid.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_per_elpot.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_mp2.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_xc.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_xc.F input_cp2k_xc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:25 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_xc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_per_elpot.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:11 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_xc.F90 /build/reproducible-path/cp2k-2025.1/src/force_fields_all.F:2658:56: 2658 | epsilon0 = SQRT(ABS(epsilon_a*epsilon_b)) @@ -55580,14 +55606,24 @@ 2557 | ewald_rcut, rmin, rmin2_a, rmin2_b | ^ note: 'rmin2_b' was declared here +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:458:111: + + 458 | work(1:np, 1:nb) = MATMUL(sab(1:np, first_col:first_col + nprjc - 1), cprj(1:nprjc, 1:nb)) + | ^ +Warning: 'nprjc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:118:90: + + 118 | maxsgf, na, natom, nb, ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, nseta, & + | ^ +note: 'nprjc' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_util.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_generate_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F topology_generate_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_coordinate_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_coordinate_util.F topology_coordinate_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_generate_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_generate_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_coordinate_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_coordinate_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_coordinate_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_coordinate_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_generate_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_generate_util.F90 /build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1896:59: 1896 | atm_symbol = id2str(atom_info%id_element(i)) @@ -55598,12 +55634,6 @@ 629 | upper_sym_1 = id2str(atom_info%id_element(iatom)) | 1 Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_xc.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_ec.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_ec.F input_cp2k_ec.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_atom.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_atom.F input_cp2k_atom.F90 /build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1655:34: 1655 | ind = wrk(i)%array1(j) @@ -55634,8 +55664,12 @@ 1600 | TYPE(array1_list_type), DIMENSION(:), POINTER :: wrk | ^ note: 'wrk.dim[0].stride' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:28 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ec.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_ec.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:28 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_atom.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_xc.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_ec.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_ec.F input_cp2k_ec.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_atom.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_atom.F input_cp2k_atom.F90 /build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1177:22: 1177 | IF (do_it > 0) THEN @@ -55646,15 +55680,44 @@ 1082 | INTEGER :: do_action, do_it, i, j, k, n_rep, & | ^ note: 'do_it' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ec.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_ec.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_atom.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields_all.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_fields_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_fields_util.F force_fields_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_atom.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_ec.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_print_dft.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_print_dft.F input_cp2k_print_dft.F90 +/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:763:35: + + 763 | rbond2 = rbond*rbond + | ^ +Warning: 'rbond' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:578:95: + + 578 | ksign, my_maxrad, r2, r2_min, rbond, & + | ^ +note: 'rbond' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_print_dft.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_print_dft.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_coordinate_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:497:101: + + 497 | atom_info%map_mol_typ(ilast + 1), atom_info%map_mol_num(ilast + 1)) + | ^ +Warning: 'ilast' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:191:14: + + 191 | ilast, inum, istart, itype, iw, j, jump1, jump2, last, max_mol_num, mol_num, mol_res, & + | ^ +note: 'ilast' declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'core_ppnl.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ec_env_types.o' due to: target does not exist @@ -55665,30 +55728,22 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_compression_methods.F hfx_compression_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_libint_interface.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_libint_interface.F hfx_libint_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_print_dft.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_print_dft.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_atom.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_libint_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_compression_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_compression_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'core_ppnl.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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_compression_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_compression_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_libint_interface.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ec_env_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_compression_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_store_int_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_store_int_types.F semi_empirical_store_int_types.F90 -/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:763:35: - - 763 | rbond2 = rbond*rbond - | ^ -Warning: 'rbond' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:578:95: - - 578 | ksign, my_maxrad, r2, r2_min, rbond, & - | ^ -note: 'rbond' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_store_int_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_store_int_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_generate_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_amber.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_amber.F topology_amber.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_store_int_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_store_int_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_amber.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_amber.F90 /build/reproducible-path/cp2k-2025.1/src/hfx_libint_interface.F:259:37: 259 | factor = factor*S1234*SQRT(tmp) @@ -55699,15 +55754,11 @@ 92 | REAL(KIND=dp) :: AB(3), AB2, CD(3), CD2, den, Eta, EtaInv, factor, G(3), num, omega2, & | ^ note: 'factor' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ec_env_types.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_store_int_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_integrals.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_integrals.F semi_empirical_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:31 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_integrals.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target '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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_integrals.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_environment_types.o' due to: target does not exist @@ -55718,89 +55769,15 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_setup.F mp2_setup.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_ri_grad_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_ri_grad_util.F mp2_ri_grad_util.F90 -/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:497:101: - - 497 | atom_info%map_mol_typ(ilast + 1), atom_info%map_mol_num(ilast + 1)) - | ^ -Warning: 'ilast' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:191:14: - - 191 | ilast, inum, istart, itype, iw, j, jump1, jump2, last, max_mol_num, mol_num, mol_res, & - | ^ -note: 'ilast' declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:31 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_setup.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_setup.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:31 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:31 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pair_list_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_pair_list_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:31 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_grad_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pair_list_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_pair_list_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_setup.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_setup.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_grad_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_integrals.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_fock_matrix_integrals.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_fock_matrix_integrals.F se_fock_matrix_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:32 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix_integrals.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_setup.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/hfx_pair_list_methods.F:297:46: - - 297 | factor = factor*S1234*SQRT(tmp) - | ^ -Warning: 'factor' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/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-2025.1/Makefile:560: update target 'topology_generate_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_amber.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_amber.F topology_amber.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:33 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_amber.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_amber.F90 -/build/reproducible-path/cp2k-2025.1/src/se_fock_matrix_integrals.F:1068:27: - - 1068 | REAL(KIND=dp) :: ch_i, ch_j, ef0_i, ef0_j, eloc, energy, fac, fac_ij, ir, irab2, r, tij, & - | ^ -Warning: 'ch_i' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/se_fock_matrix_integrals.F:1068:33: - - 1068 | REAL(KIND=dp) :: ch_i, ch_j, ef0_i, ef0_j, eloc, energy, fac, fac_ij, ir, irab2, r, tij, & - | ^ -Warning: 'ch_j' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_pair_list_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_load_balance_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F hfx_load_balance_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:33 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_load_balance_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_load_balance_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:2358:45: - - 2358 | shm_bins_per_rank(i_thread + 1) = nbins - | ^ -Warning: 'nbins' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:2336:83: - - 2336 | INTEGER :: i, j, k, my_rank, nbins, nranks, & - | ^ -note: 'nbins' was declared here -/build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:2416:41: - - 2416 | ALLOCATE (buffer_out(2*total_bins)) - | ^ -Warning: 'total_bins' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:2337:70: - - 2337 | total_bins - | ^ -note: 'total_bins' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix_integrals.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_print_dft.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_xas.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_xas.F input_cp2k_xas.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_fields_input.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_fields_input.F force_fields_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:35 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xas.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_xas.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:35 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix_integrals.F90 /build/reproducible-path/cp2k-2025.1/src/topology_amber.F:596:34: 596 | ib(:) = ib(:)/3 + 1 @@ -56011,6 +55988,92 @@ 393 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: asol, bsol, cn1, cn2, phase, pk, pn, & | ^ note: 'pn.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_setup.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_fields_input.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_fields_input.F force_fields_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields_input.F90 +/build/reproducible-path/cp2k-2025.1/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-2025.1/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-2025.1/Makefile:560: update target 'hfx_pair_list_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_load_balance_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F hfx_load_balance_methods.F90 +/build/reproducible-path/cp2k-2025.1/src/se_fock_matrix_integrals.F:1068:27: + + 1068 | REAL(KIND=dp) :: ch_i, ch_j, ef0_i, ef0_j, eloc, energy, fac, fac_ij, ir, irab2, r, tij, & + | ^ +Warning: 'ch_i' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/se_fock_matrix_integrals.F:1068:33: + + 1068 | REAL(KIND=dp) :: ch_i, ch_j, ef0_i, ef0_j, eloc, energy, fac, fac_ij, ir, irab2, r, tij, & + | ^ +Warning: 'ch_j' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_print_dft.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_load_balance_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_load_balance_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_xas.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_xas.F input_cp2k_xas.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xas.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_xas.F90 +/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1600:73: + + 1600 | nonbonded%pot(start + isec)%pot%set(1)%gal21%met1 = atm_names(1) + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1601:73: + + 1601 | nonbonded%pot(start + isec)%pot%set(1)%gal21%met2 = atm_names(2) + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1510:71: + + 1510 | nonbonded%pot(start + isec)%pot%set(1)%gal%met1 = atm_names(1) + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1511:71: + + 1511 | nonbonded%pot(start + isec)%pot%set(1)%gal%met2 = atm_names(2) + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:2358:45: + + 2358 | shm_bins_per_rank(i_thread + 1) = nbins + | ^ +Warning: 'nbins' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:2336:83: + + 2336 | INTEGER :: i, j, k, my_rank, nbins, nranks, & + | ^ +note: 'nbins' was declared here +/build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:2416:41: + + 2416 | ALLOCATE (buffer_out(2*total_bins)) + | ^ +Warning: 'total_bins' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:2337:70: + + 2337 | total_bins + | ^ +note: 'total_bins' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_amber.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_fields_ext.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_fields_ext.F force_fields_ext.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_ext.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields_ext.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_xas.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_dft.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_dft.F input_cp2k_dft.F90 /build/reproducible-path/cp2k-2025.1/src/hfx_get_pmax_val.fypp:230:54: 230 | pmax_val = MAX(pmax_1 + pmax_2, pmax_3 + pmax_4) @@ -56181,26 +56244,19 @@ 1995 | REAL(dp), DIMENSION(:, :), POINTER :: ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4 | ^ note: 'ptr_p_4.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1600:73: - - 1600 | nonbonded%pot(start + isec)%pot%set(1)%gal21%met1 = atm_names(1) - | 1 -Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1601:73: - - 1601 | nonbonded%pot(start + isec)%pot%set(1)%gal21%met2 = atm_names(2) - | 1 -Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1510:71: +/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1335:20: - 1510 | nonbonded%pot(start + isec)%pot%set(1)%gal%met1 = atm_names(1) - | 1 -Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1511:71: + 1335 | CPASSERT(np1 - 1 <= 10) + | ^ +Warning: 'np1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1184:92: - 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] + 1184 | INTEGER :: i, ir, isec, n_items, n_rep, np1, np2 + | ^ +note: 'np1' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_dft.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_dft.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix_integrals.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:1542:58: 1542 | bin_histogram(my_process_id + 1, 1) = my_bin_size @@ -56219,20 +56275,31 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/voronoi_interface.F voronoi_interface.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'moments_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/moments_utils.F moments_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dkh_main.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dkh_main.F dkh_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:36 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:36 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"voronoi_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' voronoi_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:36 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dkh_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dkh_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:36 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"moments_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' moments_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"moments_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' moments_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"voronoi_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' voronoi_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dkh_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dkh_main.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_env_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:36 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pw_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pw_env_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optimize_dmfet_potential.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optimize_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:36 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_dmfet_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_dmfet_potential.F90 +/build/reproducible-path/cp2k-2025.1/src/input_cp2k_dft.F:1255:34: + + 1255 | SUBROUTINE create_rigpw_section(section) + | ^ +Warning: 'create_rigpw_section' 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_dmfet_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_dmfet_potential.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_collocate_density.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_collocate_density.F qs_collocate_density.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_collocate_density.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_collocate_density.F90 +/build/reproducible-path/cp2k-2025.1/src/voronoi_interface.F:70:24: + + 70 | INTEGER :: step_count = 0 + | 1 +Warning: Unused PRIVATE module variable 'step_count' declared at (1) [-Wunused-value] /build/reproducible-path/cp2k-2025.1/src/dkh_main.F:101:37: 101 | SUBROUTINE DKH_full_transformation(qs_env, matrix_s, matrix_v, matrix_t, matrix_pVp, n, dkh_order) @@ -56243,38 +56310,23 @@ 713 | SUBROUTINE even4a(n, ev4, e1, pe1p, vv, gg) | ^ Warning: 'even4a' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:36 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_collocate_density.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_collocate_density.F90 -/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1335:20: - - 1335 | CPASSERT(np1 - 1 <= 10) - | ^ -Warning: 'np1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1184:92: - - 1184 | INTEGER :: i, ir, isec, n_items, n_rep, np1, np2 - | ^ -note: 'np1' was declared here -/build/reproducible-path/cp2k-2025.1/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-2025.1/Makefile:513: update target 'qs_integrate_potential_single.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_integrate_potential_single.F qs_integrate_potential_single.F90 /build/reproducible-path/cp2k-2025.1/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-2025.1/Makefile:513: update target 'qs_integrate_potential_single.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_integrate_potential_single.F qs_integrate_potential_single.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_output.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_output.F cp_dbcsr_output.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_neighbor_lists.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_neighbor_lists.F qs_neighbor_lists.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:37 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:37 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_single.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_integrate_potential_single.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:37 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_neighbor_lists.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_single.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_integrate_potential_single.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_neighbor_lists.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_tb_coulomb.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_coulomb.F qmmm_tb_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_tb_coulomb.F90 /build/reproducible-path/cp2k-2025.1/src/pw_env_methods.F:833:16: 833 | IF (igrid_zet0_s == igrid_level) maxradius = MAX(maxradius, max_rpgf0_s) @@ -56285,7 +56337,8 @@ 787 | INTEGER :: handle, ibasis_set_type, igrid_level, igrid_zet0_s, ikind, ipgf, iset, ishell, & | ^ note: 'igrid_zet0_s' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:37 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_tb_coulomb.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb3_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb3_methods.F qs_dftb3_methods.F90 /build/reproducible-path/cp2k-2025.1/src/pw_env_methods.F:1061:45: 1061 | 1, (/-1, -1, -1/)) @@ -56296,9 +56349,6 @@ 1043 | INTEGER :: border_points, handle | ^ note: 'border_points' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb3_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb3_methods.F qs_dftb3_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb3_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb3_methods.F90 /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_output.F:238:10: 238 | IF (print_sym) THEN @@ -56309,11 +56359,19 @@ 175 | LOGICAL :: my_omit_headers, print_sym | ^ note: 'print_sym' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb3_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb3_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_operators_ao.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F qs_operators_ao.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_operators_ao.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_operators_ao.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_integrate_potential_product.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_integrate_potential_product.F qs_integrate_potential_product.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_operators_ao.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_operators_ao.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_product.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_integrate_potential_product.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho0_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho0_methods.F qs_rho0_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho0_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho_atom_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho_atom_methods.F qs_rho_atom_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho_atom_methods.F90 /build/reproducible-path/cp2k-2025.1/src/qs_integrate_potential_single.F:996:98: 996 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: h_block, hab, hmat, p_block, pab, pblk, & @@ -56359,7 +56417,8 @@ 996 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: h_block, hab, hmat, p_block, pab, pblk, & | ^ note: 'pblk.dim[0].ubound' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:39 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_product.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_integrate_potential_product.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_atom.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_atom.F qs_ks_atom.F90 /build/reproducible-path/cp2k-2025.1/src/qs_collocate_density.F:2150:10: 2150 | IF (distributed_rs_grids) THEN @@ -56370,13 +56429,6 @@ 2050 | LOGICAL :: atom_pair_changed, distributed_rs_grids, & | ^ note: 'distributed_rs_grids' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho0_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho0_methods.F qs_rho0_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho_atom_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho_atom_methods.F qs_rho_atom_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:39 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho0_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_atom.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_atom.F qs_ks_atom.F90 /build/reproducible-path/cp2k-2025.1/src/qs_neighbor_lists.F:1175:53: 1175 | CPABORT("") @@ -56397,8 +56449,7 @@ 1051 | kcell, maxat, mol_a, mol_b, nkind, otype, natom, inode, nnode, nentry | ^ note: 'mol_b' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho_atom_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_atom.F90 /build/reproducible-path/cp2k-2025.1/src/qs_collocate_density.F:1765:10: 1765 | IF (distributed_rs_grids) THEN @@ -56409,6 +56460,16 @@ 1662 | LOGICAL :: atom_pair_changed, distributed_rs_grids, & | ^ note: 'distributed_rs_grids' was declared here +/build/reproducible-path/cp2k-2025.1/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-2025.1/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-2025.1/src/qs_operators_ao.F:1508:13: 1508 | IF (jatom /= last_jatom) THEN @@ -56421,7 +56482,10 @@ note: 'last_jatom' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_core_energies.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_core_energies.F qs_core_energies.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_energies.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_core_energies.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_gspace_mixing.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F qs_gspace_mixing.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gspace_mixing.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gspace_mixing.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_energies.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_core_energies.F90 /build/reproducible-path/cp2k-2025.1/src/qs_integrate_potential_product.F:500:127: 500 | work(1:ncob, 1:nsgfa(iset)) = MATMUL(hdab(i, 1:ncob, 1:ncoa), sphi_a(1:ncoa, sgfa:sgfa + nsgfa(iset) - 1)) @@ -56472,19 +56536,9 @@ 1095 | last_jatom, ldab, ldsa, ldsb, ldwork, M_dim, maxl, ncoa, ncob, nkind, nseta, nsetb, sgfa, & | ^ note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2025.1/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-2025.1/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-2025.1/Makefile:513: update target 'qs_gspace_mixing.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F qs_gspace_mixing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gspace_mixing.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gspace_mixing.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_environment_init.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_environment_init.F lri_environment_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_environment_init.F90 /build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:940:13: 940 | IF (jatom /= last_jatom) THEN @@ -56495,15 +56549,12 @@ 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-2025.1/Makefile:513: update target 'lri_environment_init.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_environment_init.F lri_environment_init.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_cnum.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_cnum.F qs_dispersion_cnum.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_environment_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_cnum.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_cnum.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_d2.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d2.F qs_dispersion_d2.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_cnum.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_cnum.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_d2.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_d2.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_d2.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_d2.F90 /build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:555:13: 555 | IF (jatom /= last_jatom) THEN @@ -56514,9 +56565,6 @@ 451 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & | ^ note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_utils.F qs_dispersion_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_utils.F90 /build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:188:13: 188 | IF (jatom /= last_jatom) THEN @@ -56527,14 +56575,20 @@ 80 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & | ^ note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_utils.F qs_dispersion_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_external_density.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_external_density.F qs_external_density.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_density.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_external_density.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_external_potential.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_external_potential.F qs_external_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_density.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_external_density.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_external_potential.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_gcp_method.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gcp_method.F qs_gcp_method.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_external_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_method.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gcp_method.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_ddapc_forces.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_ddapc_forces.F cp_ddapc_forces.F90 /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_utils.F:345:74: 345 | "PRINT%DFT_CONTROL_PARAMETERS") @@ -56545,22 +56599,7 @@ 231 | TYPE(section_vals_type), POINTER :: dft_section | ^ note: 'dft_section' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_ddapc_forces.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_ddapc_forces.F cp_ddapc_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_method.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gcp_method.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc_forces.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hartree_local_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hartree_local_methods.F hartree_local_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hartree_local_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_communication.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_communication.F hfx_communication.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_libint_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_communication.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_communication.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_load_balance_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_screening_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_screening_methods.F hfx_screening_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc_forces.F90 /build/reproducible-path/cp2k-2025.1/src/qs_integrate_potential_product.F:214:10: 214 | IF (distributed_grids) THEN @@ -56571,10 +56610,6 @@ 125 | LOGICAL :: atom_pair_changed, atom_pair_done, dh_duplicated, distributed_grids, found, & | ^ note: 'distributed_grids' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_screening_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_screening_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_adiabatic_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc_adiabatic_methods.F xc_adiabatic_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xc_adiabatic_methods.F90 /build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:435:34: 435 | b(nb1, 1:nb) = -1.0_dp @@ -56611,20 +56646,43 @@ 291 | inv_err, norm, norm_c_inv, res_norm, & | ^ note: 'norm_c_inv' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hartree_local_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hartree_local_methods.F hartree_local_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_communication.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_communication.F hfx_communication.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hartree_local_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_communication.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_communication.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_libint_interface.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_load_balance_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_screening_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_screening_methods.F hfx_screening_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_adiabatic_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc_adiabatic_methods.F xc_adiabatic_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_screening_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_screening_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xc_adiabatic_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_forces.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_forces.F lri_forces.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner.F preconditioner.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_sccs.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_sccs.F qs_sccs.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_sccs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_sccs.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_qmmm_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_qmmm_methods.F qs_ks_qmmm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_sccs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_sccs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_qmmm_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_fock_matrix_coulomb.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_fock_matrix_coulomb.F se_fock_matrix_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_qmmm_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix_coulomb.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_fock_matrix_exchange.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_fock_matrix_exchange.F se_fock_matrix_exchange.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_exchange.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix_exchange.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_matrix_w.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_matrix_w.F qs_matrix_w.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_w.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_matrix_w.F90 /build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:319:41: 319 | filename = mpi_filename @@ -56650,13 +56708,18 @@ 739 | filename = mpi_filename | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:47 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix_coulomb.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_fock_matrix_exchange.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_fock_matrix_exchange.F se_fock_matrix_exchange.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:47 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_exchange.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix_exchange.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_matrix_w.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_matrix_w.F qs_matrix_w.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_w.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_matrix_w.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'surface_dipole.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/surface_dipole.F surface_dipole.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"surface_dipole.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' surface_dipole.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_core_core.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_core_core.F se_core_core.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_hcore.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_hcore.F xtb_hcore.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_core.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_core_core.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_hcore.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_hcore.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_env_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_env_methods.F almo_scf_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_env_methods.F90 /build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:853:63: 853 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) @@ -56707,28 +56770,14 @@ 1079 | ln_rho_min, q, rho, t, x, y | ^ note: 'q' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'surface_dipole.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/surface_dipole.F surface_dipole.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"surface_dipole.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' surface_dipole.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_core_core.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_core_core.F se_core_core.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_core.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_core_core.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_hcore.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_hcore.F xtb_hcore.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_hcore.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_hcore.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_env_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_env_methods.F almo_scf_env_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_xas.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_dft.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_basis_rotation_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_basis_rotation_methods.F qs_basis_rotation_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:50 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_rotation_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_basis_rotation_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_rotation_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_basis_rotation_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mixing_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mixing_utils.F qs_mixing_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:50 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mixing_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mixing_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_gcp_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gcp_utils.F qs_gcp_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mixing_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mixing_utils.F90 /build/reproducible-path/cp2k-2025.1/src/se_core_core.F:208:53: 208 | dr3inv = -3.0_dp*rij*r3inv*r2inv @@ -56749,18 +56798,9 @@ 91 | enuclear, r2inv, r3inv, rinv | ^ note: 'r3inv' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_diis.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_diis.F qs_diis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:50 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gcp_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:50 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_diis.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_potentials.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_potentials.F pao_potentials.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_linpot_full.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_linpot_full.F pao_linpot_full.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:51 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_potentials.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_potentials.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:51 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_full.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_linpot_full.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_linpot_rotinv.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_linpot_rotinv.F pao_linpot_rotinv.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_gcp_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gcp_utils.F qs_gcp_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gcp_utils.F90 /build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:685:108: 685 | mixing_store%res_buffer(ib, ispin)%cc(ig) = res_rho(ig) - mixing_store%last_res(ispin)%cc(ig) @@ -56771,19 +56811,32 @@ 565 | INTEGER :: handle, i, iatom, ib, ig, ispin, j, jb, & | ^ note: 'ib' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_diis.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_diis.F qs_diis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_diis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_potentials.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_potentials.F pao_potentials.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_linpot_full.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_linpot_full.F pao_linpot_full.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_potentials.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_potentials.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_full.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_linpot_full.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_linpot_rotinv.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_linpot_rotinv.F pao_linpot_rotinv.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_rotinv.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_linpot_rotinv.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_model.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_model.F pao_model.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:51 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_rotinv.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_linpot_rotinv.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:51 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_model.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_model.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_model.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_model.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_nonscf_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_nonscf_utils.F qs_nonscf_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:51 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nonscf_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_nonscf_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'min_basis_set.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/min_basis_set.F min_basis_set.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"min_basis_set.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' min_basis_set.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nonscf_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_nonscf_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_utils.F qs_loc_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"min_basis_set.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' min_basis_set.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mao_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mao_methods.F mao_methods.F90 /build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:119:76: 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab @@ -56811,29 +56864,56 @@ | ^ note: 'new_block_d.dim[1].stride' was declared here /build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:119:76: Warning: 'new_block_d.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mao_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mao_methods.F mao_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_chargemol.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F qs_chargemol.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_chargemol.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_chargemol.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dos.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dos.F qs_dos.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dos.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dos.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_chargemol.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_chargemol.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dos.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dos.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_epr_hyp.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_epr_hyp.F qs_epr_hyp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_epr_hyp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_epr_hyp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_epr_hyp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_epr_hyp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'wannier_states.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/wannier_states.F wannier_states.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' wannier_states.F90 /build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:168:83: 168 | extension=".wfx", my_local=.FALSE.) | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'wannier_states.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/wannier_states.F wannier_states.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_csr_write.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_csr_write.F qs_scf_csr_write.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' wannier_states.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_csr_write.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_csr_write.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_csr_write.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_csr_write.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_distribution_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_distribution_methods.F qs_fb_distribution_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_distribution_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_distribution_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'trexio_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/trexio_utils.F trexio_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xray_diffraction.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xray_diffraction.F xray_diffraction.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"trexio_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' trexio_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xray_diffraction.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xray_diffraction.F90 +/build/reproducible-path/cp2k-2025.1/src/wannier_states.F:343:53: + + 343 | (cmatrix(irow, jcol), jcol=from, to) + | ^ +Warning: 'cmatrix.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/wannier_states.F:115:67: + + 115 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: cmatrix, smatrix + | ^ +note: 'cmatrix.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_loc_utils.F:607:13: + + 607 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_loc_utils.F:492:97: + + 492 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & + | ^ +note: 'last_jatom' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_mixing_utils.F:332:69: 332 | ALLOCATE (mixing_store%cpc_h_old(natom, nspins)) @@ -56854,22 +56934,6 @@ 120 | max_shell, na, natom, nbuffer, nel, & | ^ note: 'max_shell' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_distribution_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_distribution_methods.F qs_fb_distribution_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'trexio_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/trexio_utils.F trexio_utils.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_loc_utils.F:607:13: - - 607 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_loc_utils.F:492:97: - - 492 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & - | ^ -note: 'last_jatom' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_distribution_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_distribution_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"trexio_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' trexio_utils.F90 /build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:580:64: 580 | DO imo = mos(roks_low)%homo + 1, mos(roks_high)%homo @@ -56920,16 +56984,14 @@ 867 | INTEGER FUNCTION pgf_type_chargemol(l_symb) RESULT(label) | ^ note: 'label' was declared here -/build/reproducible-path/cp2k-2025.1/src/wannier_states.F:343:53: - - 343 | (cmatrix(irow, jcol), jcol=from, to) - | ^ -Warning: 'cmatrix.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/wannier_states.F:115:67: +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'basis_set_output.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/basis_set_output.F basis_set_output.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_fb_distribution_methods.F:766:37: - 115 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: cmatrix, smatrix - | ^ -note: 'cmatrix.dim[1].stride' was declared here + 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"basis_set_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' basis_set_output.F90 /build/reproducible-path/cp2k-2025.1/src/qs_scf_csr_write.F:423:67: 423 | CALL dbcsr_convert_dbcsr_to_csr(cmatrix, mat_csr) @@ -56980,9 +57042,6 @@ 338 | rmatrix, rmatrix_nosym, tmatrix | ^ note: 'tmatrix' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xray_diffraction.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xray_diffraction.F xray_diffraction.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xray_diffraction.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xray_diffraction.F90 /build/reproducible-path/cp2k-2025.1/src/qs_loc_utils.F:327:25: 327 | IF (ABS(occ_imo - my_occ) > localized_wfn_control%eps_occ) THEN @@ -56993,19 +57052,12 @@ 247 | REAL(KIND=dp) :: my_occ, occ_imo | ^ note: 'my_occ' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'basis_set_output.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/basis_set_output.F basis_set_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"basis_set_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' basis_set_output.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_fb_distribution_methods.F:766:37: - - 766 | SUBROUTINE fb_distribution_move_el(dist_from, element, dist_to) - | ^ -Warning: 'fb_distribution_move_el' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_eri.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_eri.F mp2_eri.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_eri.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpoint_coulomb_2c.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_coulomb_2c.F kpoint_coulomb_2c.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_coulomb_2c.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_coulomb_2c.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:02:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_eri.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_ri_grad_util.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_grids.o' due to: target does not exist @@ -57014,22 +57066,26 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qcschema.F qcschema.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'et_coupling.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/et_coupling.F et_coupling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_coulomb_2c.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_coulomb_2c.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_grids.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_grids.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qcschema.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qcschema.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' et_coupling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_grids.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_grids.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qcschema.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qcschema.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' et_coupling.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gw_integrals.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_integrals.F gw_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_integrals.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'soc_pseudopotential_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/soc_pseudopotential_methods.F soc_pseudopotential_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"soc_pseudopotential_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' soc_pseudopotential_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_cdft_scf_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_cdft_scf_utils.F qs_cdft_scf_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"soc_pseudopotential_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' soc_pseudopotential_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_scf_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_scf_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_epr_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_epr_utils.F qs_linres_epr_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_epr_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_scf_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_scf_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_epr_utils.F90 +/build/reproducible-path/cp2k-2025.1/src/qcschema.F:710:34: + + 710 | SUBROUTINE qcschema_update_fock(qcschema_env, active_space_env) + | ^ +Warning: 'qcschema_update_fock' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/src/et_coupling.F:220:23: 220 | W_mat(1, 1) = Wbb @@ -57060,29 +57116,27 @@ 72 | REAL(KIND=dp) :: Sda, strength, Waa, Wbb, Wda | ^ note: 'strength' declared here -/build/reproducible-path/cp2k-2025.1/src/qcschema.F:710:34: - - 710 | SUBROUTINE qcschema_update_fock(qcschema_env, active_space_env) - | ^ -Warning: 'qcschema_update_fock' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_nmr_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_nmr_utils.F qs_linres_nmr_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_nmr_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_nmr_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_stda_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_stda_types.F qs_tddfpt2_stda_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:11:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_stda_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_stda_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_assign.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_assign.F qs_tddfpt2_assign.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_assign.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_assign.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_kernel.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_kernel.F xas_tdp_kernel.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_kernel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_kernel.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_forces.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rt_propagation_forces.F rt_propagation_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_assign.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_assign.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_kernel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_kernel.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rt_propagation_forces.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_properties_dft.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_properties_dft.F input_cp2k_properties_dft.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rt_propagation_forces.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_projection_mo_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_projection_mo_utils.F rt_projection_mo_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_projection_mo_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_projection_mo_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_properties_dft.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_properties_dft.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_projection_mo_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_projection_mo_utils.F90 /build/reproducible-path/cp2k-2025.1/src/mp2_grids.F:462:10: 462 | IF (ABS(left_term + right_term) >= conv_param) THEN @@ -57105,21 +57159,18 @@ note: 'a_scaling' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_hfx_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_hfx_utils.F rt_hfx_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_hfx_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_hfx_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt_types.F qs_tddfpt_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_hfx_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_hfx_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_amber.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields_input.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'voronoi_interface.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_fields_ext.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_fields_ext.F force_fields_ext.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_ext.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields_ext.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields_ext.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'moments_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc.mod' due to: target does not exist @@ -57148,10 +57199,10 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'admm_dm_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_dm_methods.F admm_dm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:02 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dft_plus_u.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dft_plus_u.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dft_plus_u.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dft_plus_u.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_dm_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_integrate_potential_product.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:02 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_dm_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho0_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho_atom_methods.mod' due to: target does not exist @@ -57160,20 +57211,10 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_vxc.F qs_vxc.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_core_energies.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:02 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vxc.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gspace_mixing.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ec_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ec_methods.F ec_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:02 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_environment_init.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_environment_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_environment_methods.F lri_environment_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:02 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_environment_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_core_hamiltonian.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_core_hamiltonian.F qs_core_hamiltonian.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:02 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_hamiltonian.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_core_hamiltonian.F90 /build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:1280:116: 1280 | habc_uncontr_d(ico, jco, kcoz)] @@ -57559,14 +57600,25 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vxc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_environment_init.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_environment_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_environment_methods.F lri_environment_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_core_hamiltonian.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_core_hamiltonian.F qs_core_hamiltonian.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_environment_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_cnum.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_hamiltonian.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_core_hamiltonian.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_d2.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eeq_method.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eeq_method.F eeq_method.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eeq_method.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eeq_method.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_external_density.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_external_potential.mod' due to: target does not exist @@ -57575,7 +57627,6 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_ddapc_forces.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eeq_method.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eeq_method.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hartree_local_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_communication.mod' due to: target does not exist @@ -57584,13 +57635,12 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_pw_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_pw_methods.F hfx_pw_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pw_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_pw_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tensors.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tensors.F qs_tensors.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tensors.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pw_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_pw_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tensors.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ri_environment_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ri_environment_methods.F ri_environment_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ri_environment_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_adiabatic_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_forces.mod' due to: target does not exist @@ -57601,6 +57651,7 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_qmmm_methods.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ri_environment_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix_coulomb.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix_exchange.mod' due to: target does not exist @@ -57617,23 +57668,32 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_potentials.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_potentials.F xtb_potentials.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_matrix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_core_matrix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_potentials.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_potentials.F90 /build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_matrix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_core_matrix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_potentials.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_potentials.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_env_methods.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1649:28: 1649 | SUBROUTINE eeq_dfield_pot(charges, dft_control, particle_set, cell, efr) | ^ Warning: 'eeq_dfield_pot' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_env_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_basis_rotation_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_dft.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_dft.F input_cp2k_dft.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_dft.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_dft.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mixing_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gcp_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_elec_field.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_elec_field.F qs_elec_field.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fermi_contact.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fermi_contact.F qs_fermi_contact.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elec_field.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_elec_field.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fermi_contact.F90 /build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:1505:38: 1505 | END FUNCTION convert_potential_type @@ -57654,6 +57714,26 @@ 1259 | ikind, ir, iunit, ix, iy, iz, jkind, & | ^ note: 'ikind' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_elec_field.F:198:13: + + 198 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/se_core_matrix.F:424:19: + + 424 | SUBROUTINE makeS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, S) + | ^ +Warning: 'makes' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/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-2025.1/src/se_core_matrix.F:800:20: + + 800 | SUBROUTINE makedS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, dS) + | ^ +Warning: 'makeds' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/src/xtb_potentials.F:713:89: 713 | dedf = fval*evalfd(pot%set(kk)%gp%myid, 1, pot%set(kk)%gp%values, dx, err) @@ -57664,16 +57744,18 @@ 645 | REAL(KIND=dp) :: dedf, dr, dx, energy_cutoff, err, fval, & | ^ note: 'fval' was declared here -/build/reproducible-path/cp2k-2025.1/src/se_core_matrix.F:424:19: +/build/reproducible-path/cp2k-2025.1/src/qs_fermi_contact.F:195:13: - 424 | SUBROUTINE makeS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, S) - | ^ -Warning: 'makes' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/se_core_matrix.F:800:20: + 195 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_fermi_contact.F:83:19: - 800 | SUBROUTINE makedS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, dS) - | ^ -Warning: 'makeds' defined but not used [-Wunused-function] + 83 | last_jatom, ldai, ldfc, maxco, maxlgto, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, & + | ^ +note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_spin_orbit.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_spin_orbit.F qs_spin_orbit.F90 /build/reproducible-path/cp2k-2025.1/src/ri_environment_methods.F:632:23: 632 | IF (symm .AND. (iatom /= jatom)) THEN @@ -57684,26 +57766,40 @@ 598 | LOGICAL :: symm | ^ note: 'symm' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_basis_rotation_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_spin_orbit.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_diis.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mixing_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_block_davidson.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_block_davidson.F qs_scf_block_davidson.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:12 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_block_davidson.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_block_davidson.F90 +/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1094:82: + + 1094 | grc1 = gam(ikind) + 2.0_dp*gab(ikind, ikind)*oorootpi - ad + | ^ +Warning: 'ikind' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1009:59: + + 1009 | INTEGER :: ewald_type, handle, i, iac, iar, ic, ikind, info, ir, iunit, iv, ix, iy, iz, & + | ^ +note: 'ikind' was declared here +/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1132:50: + + 1132 | grc2 = erf(gab(ikind, jkind)*dr)/dr + | ^ +Warning: 'dr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1013:86: + + 1013 | REAL(KIND=dp) :: ad, alpha, astep, deth, dr, eeqn, & + | ^ +note: 'dr' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_potentials.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gcp_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_linpot_full.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_elec_field.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_elec_field.F qs_elec_field.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:06 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elec_field.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_elec_field.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fermi_contact.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fermi_contact.F qs_fermi_contact.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_spin_orbit.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_spin_orbit.F qs_spin_orbit.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:06 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fermi_contact.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_spin_orbit.F90 -/build/reproducible-path/cp2k-2025.1/src/input_cp2k_dft.F:1255:34: - - 1255 | SUBROUTINE create_rigpw_section(section) - | ^ -Warning: 'create_rigpw_section' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_linpot_rotinv.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_ml_descriptor.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_ml_descriptor.F pao_ml_descriptor.F90 /build/reproducible-path/cp2k-2025.1/src/xtb_potentials.F:316:44: 316 | fdik = fdika + fdikb @@ -57734,50 +57830,6 @@ 225 | REAL(KIND=dp), DIMENSION(3) :: fdik, fdika, fdikb, force_rr, rij, rik | ^ note: 'fdikb' declared here -/build/reproducible-path/cp2k-2025.1/src/qs_elec_field.F:198:13: - - 198 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_elec_field.F:83:19: - - 83 | last_jatom, ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, & - | ^ -note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1094:82: - - 1094 | grc1 = gam(ikind) + 2.0_dp*gab(ikind, ikind)*oorootpi - ad - | ^ -Warning: 'ikind' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1009:59: - - 1009 | INTEGER :: ewald_type, handle, i, iac, iar, ic, ikind, info, ir, iunit, iv, ix, iy, iz, & - | ^ -note: 'ikind' was declared here -/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1132:50: - - 1132 | grc2 = erf(gab(ikind, jkind)*dr)/dr - | ^ -Warning: 'dr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1013:86: - - 1013 | REAL(KIND=dp) :: ad, alpha, astep, deth, dr, eeqn, & - | ^ -note: 'dr' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_diis.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_block_davidson.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_block_davidson.F qs_scf_block_davidson.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_potentials.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_linpot_full.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_linpot_rotinv.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_ml_descriptor.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_ml_descriptor.F pao_ml_descriptor.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_block_davidson.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_block_davidson.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_descriptor.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_ml_descriptor.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_model.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_nonscf_utils.mod' due to: target does not exist @@ -57786,21 +57838,16 @@ true /build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_descriptor.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_ml_descriptor.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mao_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'population_analyses.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/population_analyses.F population_analyses.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"population_analyses.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' population_analyses.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_fermi_contact.F:195:13: - - 195 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_fermi_contact.F:83:19: - - 83 | last_jatom, ldai, ldfc, maxco, maxlgto, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, & - | ^ -note: 'last_jatom' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"population_analyses.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' population_analyses.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_chargemol.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dos.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/qs_spin_orbit.F:195:13: 195 | IF (jatom /= last_jatom) THEN @@ -57811,6 +57858,8 @@ 82 | last_jatom, ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, & | ^ note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_elf_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_elf_methods.F qs_elf_methods.F90 /build/reproducible-path/cp2k-2025.1/src/qs_scf_block_davidson.F:885:42: 885 | i_last = inotconv_set(j, 2) @@ -57831,19 +57880,15 @@ 487 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: iconv_set, inotconv_set | ^ note: 'inotconv_set.offset' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_chargemol.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dos.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_elf_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_elf_methods.F qs_elf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_elf_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_energy_window.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_energy_window.F qs_energy_window.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_elf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_window.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy_window.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_epr_hyp.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_dipole.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_dipole.F qs_loc_dipole.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_dipole.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_dipole.F90 /build/reproducible-path/cp2k-2025.1/src/pao_ml_descriptor.F:111:67: 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs @@ -57851,8 +57896,6 @@ Warning: 'block_m.offset' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/pao_ml_descriptor.F:111:67: Warning: 'block_m.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/pao_ml_descriptor.F:111:67: Warning: 'block_m.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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_dipole.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_dipole.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_window.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy_window.F90 /build/reproducible-path/cp2k-2025.1/src/eeq_method.F:261:37: 261 | chia(iatom) = xi - kappa*scn @@ -57863,11 +57906,17 @@ 194 | lambda, scn, sgamma, totalcharge, xi | ^ note: 'scn' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_energy_window.F:136:15: + + 136 | stride = section_get_ivals(dft_section, "PRINT%ENERGY_WINDOWS%STRIDE") + | 1 +Warning: POINTER-valued function appears on right-hand side of assignment at (1) [-Wsurprising] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecular_dipoles.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/molecular_dipoles.F molecular_dipoles.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_dipoles.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molecular_dipoles.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_dipoles.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molecular_dipoles.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecular_states.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/molecular_states.F molecular_states.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_states.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molecular_states.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'wannier_states.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_resp.o' due to: target does not exist @@ -57876,39 +57925,33 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_distribution_methods.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_states.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molecular_states.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_env_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_env_methods.F qs_fb_env_methods.F90 -/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_resp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_resp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'stm_images.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/stm_images.F stm_images.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_resp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_resp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"stm_images.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' stm_images.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_env_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'trexio_utils.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"stm_images.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' stm_images.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xray_diffraction.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ec_external.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ec_external.F ec_external.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_external.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_external.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_hab_force.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_hab_force.F xtb_hab_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_external.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_external.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_hab_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_hab_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_hab_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_hab_force.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'basis_set_output.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_coulomb_2c.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_communication.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_communication.F rpa_communication.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_communication.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_communication.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_ri_gpw.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_ri_gpw.F mp2_ri_gpw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_gpw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_gpw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_communication.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_communication.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_gpw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_gpw.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_grids.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qcschema.mod' due to: target does not exist @@ -57917,6 +57960,7 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'et_coupling_proj.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/et_coupling_proj.F et_coupling_proj.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_proj.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' et_coupling_proj.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gw_integrals.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'soc_pseudopotential_methods.mod' due to: target does not exist @@ -57929,7 +57973,6 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_stda_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_proj.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' et_coupling_proj.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_assign.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_integrals.o' due to: target does not exist @@ -57938,15 +57981,12 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_forces.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_properties_dft.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_init.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_init.F qmmm_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_init.F90 -/build/reproducible-path/cp2k-2025.1/src/ec_external.F:621:29: - - 621 | SUBROUTINE matrix_w_forces(qs_env, matrix_w, unit_nr) - | ^ -Warning: 'matrix_w_forces' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_init.F90 /build/reproducible-path/cp2k-2025.1/src/qs_resp.F:849:16: 849 | IF (dist(i) > rmax - delta) not_in_range(i, 2) = .TRUE. @@ -57967,18 +58007,21 @@ 767 | REAL(KIND=dp) :: delta, dh(3, 3), dvol, r(3), rmax, rmin, & | ^ note: 'rmin' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_projection_mo_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_hfx_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optbas_opt_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optbas_opt_utils.F optbas_opt_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optbas_opt_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'library_tests.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/library_tests.F library_tests.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"library_tests.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' library_tests.F90 +/build/reproducible-path/cp2k-2025.1/src/ec_external.F:621:29: + + 621 | SUBROUTINE matrix_w_forces(qs_env, matrix_w, unit_nr) + | ^ +Warning: 'matrix_w_forces' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:737:13: + + 737 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:642:62: + + 642 | kkind, kset, kset_end, kset_start, last_jatom, last_set, mepos, my_eri_method, na, natom, & + | ^ +note: 'last_jatom' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1132:22: 1132 | IF (in_z*in_y*in_x == 0) CYCLE @@ -58029,34 +58072,38 @@ 1030 | REAL(KIND=dp) :: delta, dh(3, 3), r(3), rmax, rmin, & | ^ note: 'rmin' was declared here -/build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:737:13: - - 737 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:642:62: - - 642 | kkind, kset, kset_end, kset_start, last_jatom, last_set, mepos, my_eri_method, na, natom, & - | ^ -note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_projection_mo_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_hfx_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optbas_opt_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optbas_opt_utils.F optbas_opt_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'library_tests.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/library_tests.F library_tests.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optbas_opt_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"library_tests.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' library_tests.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmmx_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmmx_types.F qmmmx_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_psf.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_psf.F topology_psf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_psf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_psf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_psf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_psf.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_fields.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_fields.F force_fields.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields.F90 /build/reproducible-path/cp2k-2025.1/src/topology_psf.F:780:81: 780 | extension=".psf", my_local=.FALSE.) | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields_ext.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_efield_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_efield_methods.F fist_efield_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_atom.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_atom.F xc_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_efield_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_efield_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_atom.F90 /build/reproducible-path/cp2k-2025.1/src/library_tests.F:915:21: 915 | ELSE IF (is_fullspace) THEN @@ -58067,38 +58114,31 @@ 822 | LOGICAL :: debug, is_fullspace, odd, & | ^ note: 'is_fullspace' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_atom.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_operators.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_operators.F atom_operators.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_operators.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_operators.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb_coulomb.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb_coulomb.F qs_dftb_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_operators.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_operators.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_coulomb.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_coulomb.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_coulomb.F xtb_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_coulomb.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dft_plus_u.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_dm_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_integrate_potential.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_integrate_potential.F qs_integrate_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_integrate_potential.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_atom.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vxc.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_integrate_potential.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ec_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kg_environment.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kg_environment.F kg_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_environment.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_environment_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_core_hamiltonian.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_d3.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d3.F qs_dispersion_d3.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_environment.F90 /build/reproducible-path/cp2k-2025.1/src/xas_tdp_integrals.F:485:76: 485 | !$OMP ncob,ncoc,sgfb,sgfc,egfb,egfc,sabc_ext,cpp_buffer,ccp_buffer) @@ -58109,18 +58149,41 @@ 298 | REAL(dp) :: dij, dik, djk, my_eps_screen, ri(3), & | ^ note: 'my_eps_screen' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_d3.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_d3.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_environment_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_core_hamiltonian.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_d3.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d3.F qs_dispersion_d3.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eeq_method.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_ddapc_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_ddapc_util.F cp_ddapc_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_d3.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_d3.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_derivatives.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_derivatives.F hfx_derivatives.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_derivatives.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_derivatives.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_derivatives.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_derivatives.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_energy_potential.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_energy_potential.F hfx_energy_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_energy_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_energy_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_energy_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_energy_potential.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_pw_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ri_environment_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot.F qs_ot.F90 +/build/reproducible-path/cp2k-2025.1/src/xtb_coulomb.F:315:13: + + 315 | IF (do_ewald) THEN + | ^ +Warning: 'do_ewald' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xtb_coulomb.F:122:77: + + 122 | LOGICAL :: defined, do_ewald, do_gamma_stress, & + | ^ +note: 'do_ewald' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot.F90 /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d3.F:403:33: 403 | e6tot = e6tot - e6 @@ -58181,40 +58244,21 @@ 89 | INTEGER :: atom_a, atom_b, atom_c, atom_d, handle, hashb, hashc, i, ia, iat, iatom, icx, & | ^ note: 'atom_b' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_pw_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ri_environment_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot.F qs_ot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_fock_matrix_dbg.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_fock_matrix_dbg.F se_fock_matrix_dbg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_dbg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix_dbg.F90 -/build/reproducible-path/cp2k-2025.1/src/xtb_coulomb.F:315:13: - - 315 | IF (do_ewald) THEN - | ^ -Warning: 'do_ewald' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xtb_coulomb.F:122:77: - - 122 | LOGICAL :: defined, do_ewald, do_gamma_stress, & - | ^ -note: 'do_ewald' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_dbg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix_dbg.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'smeagol_interface.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/smeagol_interface.F smeagol_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"smeagol_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' smeagol_interface.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_core_matrix.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_eeq.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_eeq.F xtb_eeq.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"smeagol_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' smeagol_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:25 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_eeq.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_eeq.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_potentials.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_dft.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_elec_field.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_eeq.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_eeq.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fermi_contact.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_spin_orbit.mod' due to: target does not exist @@ -58225,7 +58269,6 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mao_optimizer.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mao_optimizer.F mao_optimizer.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:26 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_optimizer.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'population_analyses.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_elf_methods.mod' due to: target does not exist @@ -58236,6 +58279,17 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecular_dipoles.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/mp2_ri_gpw.F:652:28: + + 652 | DEALLOCATE (B_ia_Q) + | ^ +Warning: 'b_ia_q.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_ri_gpw.F:119:66: + + 119 | DIMENSION(:) :: B_ia_Q + | ^ +note: 'b_ia_q.dim[0].ubound' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_optimizer.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecular_states.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_resp.mod' due to: target does not exist @@ -58256,30 +58310,11 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kernel_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_kernel_types.F qs_kernel_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_optimize_ri_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kernel_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kernel_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_integrals.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_properties_dft.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_properties_dft.F input_cp2k_properties_dft.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_properties_dft.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_properties_dft.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_init.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optbas_opt_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a xc_xwpbe.o xc_xpbe_hole_t_c_lr.o xc_xlda_hole_t_c_lr.o xc_xbr_pbe_lda_hole_t_c_lr.o xc_xbeef.o xc_xbecke_roussel.o xc_xbecke88_lr_adiabatic.o xc_xbecke88_long_range.o xc_xbecke88.o xc_xalpha.o xc_vwn.o xc_util.o xc_tpss.o xc_thomas_fermi.o xc_tfw.o xc_rho_set_types.o xc_rho_cflags_types.o xc_perdew_zunger.o xc_perdew_wang.o xc_perdew86.o xc_pbe.o xc_pade.o xc_optx.o xc_lyp_adiabatic.o xc_lyp.o xc_libxc_wrap.o xc_libxc.o xc_ke_gga.o xc_input_constants.o xc_hcth.o xc_fxc_kernel.o xc_functionals_utilities.o xc_exchange_gga.o xc_derivatives.o xc_derivative_types.o xc_derivative_set_types.o xc_derivative_desc.o xc_cs1.o xc_b97_fxc.o xc_b97.o xc_atom.o xc.o cp_linked_list_xc_deriv.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'library_tests.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmmx_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_psf.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_fields.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_fields.F force_fields.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_force_eval.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_force_eval.F input_cp2k_force_eval.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_optimize_ri_basis.F90 /build/reproducible-path/cp2k-2025.1/src/hfx_derivatives.F:1227:28: 1227 | IF (screen_pmat_forces) THEN @@ -58500,17 +58535,25 @@ 168 | rb(3), rc(3), rcd2, rd(3), spherical_estimate, spherical_estimate_virial, symm_fac, & | ^ note: 'spherical_estimate_virial' was declared here -/build/reproducible-path/cp2k-2025.1/src/mp2_ri_gpw.F:652:28: - - 652 | DEALLOCATE (B_ia_Q) - | ^ -Warning: 'b_ia_q.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_ri_gpw.F:119:66: - - 119 | DIMENSION(:) :: B_ia_Q - | ^ -note: 'b_ia_q.dim[0].ubound' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:28 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kernel_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_force_eval.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_force_eval.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_init.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optbas_opt_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a xc_xwpbe.o xc_xpbe_hole_t_c_lr.o xc_xlda_hole_t_c_lr.o xc_xbr_pbe_lda_hole_t_c_lr.o xc_xbeef.o xc_xbecke_roussel.o xc_xbecke88_lr_adiabatic.o xc_xbecke88_long_range.o xc_xbecke88.o xc_xalpha.o xc_vwn.o xc_util.o xc_tpss.o xc_thomas_fermi.o xc_tfw.o xc_rho_set_types.o xc_rho_cflags_types.o xc_perdew_zunger.o xc_perdew_wang.o xc_perdew86.o xc_pbe.o xc_pade.o xc_optx.o xc_lyp_adiabatic.o xc_lyp.o xc_libxc_wrap.o xc_libxc.o xc_ke_gga.o xc_input_constants.o xc_hcth.o xc_fxc_kernel.o xc_functionals_utilities.o xc_exchange_gga.o xc_derivatives.o xc_derivative_types.o xc_derivative_set_types.o xc_derivative_desc.o xc_cs1.o xc_b97_fxc.o xc_b97.o xc_atom.o xc.o cp_linked_list_xc_deriv.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kxc.a +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'library_tests.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmmx_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_psf.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_efield_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_atom.mod' due to: target does not exist @@ -58523,81 +58566,24 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_vxc_atom.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_vxc_atom.F qs_vxc_atom.F90 -/build/reproducible-path/cp2k-2025.1/src/xtb_eeq.F:174:37: - - 174 | chia(iatom) = xi - kappa*scn - | ^ -Warning: 'scn' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xtb_eeq.F:92:95: - - 92 | REAL(KIND=dp) :: ala, alb, cn, esg, gama, kappa, scn, & - | ^ -note: 'scn' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vxc_atom.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_d3.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_d4.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F qs_dispersion_d4.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_d4.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_d4.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vxc_atom.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_ddapc_util.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tensors.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_d4.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_d4.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_ks_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_ks_methods.F lri_ks_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_image_charge.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_image_charge.F qmmm_image_charge.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_ks_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_ks_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_image_charge.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_image_charge.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:1062:20: - - 1062 | SUBROUTINE gerror(ga, gd, ev1, ev2, ev3, ev4) - | 1 -Warning: 'gerror' declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix_dbg.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'smeagol_interface.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_eeq.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mao_optimizer.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_ehess.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_ehess.F xtb_ehess.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:614:27: - - 614 | SUBROUTINE dispersion_2b(dispersion_env, cutoff, r4r2, & - | ^ -Warning: 'dispersion_2b' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:716:27: - - 716 | SUBROUTINE dispersion_3b(qs_env, dispersion_env, tvec, cutoff, r4r2, & - | ^ -Warning: 'dispersion_3b' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:935:25: - - 935 | SUBROUTINE dEdcn_force(qs_env, dEdcn, dcnum, gradient, stress) - | ^ -Warning: 'dedcn_force' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:1062:20: - - 1062 | SUBROUTINE gerror(ga, gd, ev1, ev2, ev3, ev4) - | ^ -Warning: 'gerror' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:1089:20: - - 1089 | SUBROUTINE serror(sa, sd, ev1, ev2) - | ^ -Warning: 'serror' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:1116:20: - - 1116 | SUBROUTINE verror(va, vd, ev1, ev2) - | ^ -Warning: 'verror' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_ks_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_ks_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_image_charge.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_image_charge.F90 /build/reproducible-path/cp2k-2025.1/src/hfx_energy_potential.F:972:94: 972 | memory_parameter%actual_memory_usage_disk, .TRUE.) @@ -58978,16 +58964,68 @@ 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & | ^ note: 'MEM[(integer(kind=8) *)&ptr_p_4 + 64B]' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_ehess.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:1062:20: + + 1062 | SUBROUTINE gerror(ga, gd, ev1, ev2, ev3, ev4) + | 1 +Warning: 'gerror' declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] +/build/reproducible-path/cp2k-2025.1/src/xtb_eeq.F:174:37: + + 174 | chia(iatom) = xi - kappa*scn + | ^ +Warning: 'scn' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xtb_eeq.F:92:95: + + 92 | REAL(KIND=dp) :: ala, alb, cn, esg, gama, kappa, scn, & + | ^ +note: 'scn' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix_dbg.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'smeagol_interface.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mao_optimizer.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:614:27: + + 614 | SUBROUTINE dispersion_2b(dispersion_env, cutoff, r4r2, & + | ^ +Warning: 'dispersion_2b' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:716:27: + + 716 | SUBROUTINE dispersion_3b(qs_env, dispersion_env, tvec, cutoff, r4r2, & + | ^ +Warning: 'dispersion_3b' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:935:25: + + 935 | SUBROUTINE dEdcn_force(qs_env, dEdcn, dcnum, gradient, stress) + | ^ +Warning: 'dedcn_force' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:1062:20: + + 1062 | SUBROUTINE gerror(ga, gd, ev1, ev2, ev3, ev4) + | ^ +Warning: 'gerror' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:1089:20: + + 1089 | SUBROUTINE serror(sa, sd, ev1, ev2) + | ^ +Warning: 'serror' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:1116:20: + + 1116 | SUBROUTINE verror(va, vd, ev1, ev2) + | ^ +Warning: 'verror' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_ehess.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_ehess.F xtb_ehess.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_ehess_force.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_ehess_force.F xtb_ehess_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_ehess_force.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_eri_gpw.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_eri_gpw.F mp2_eri_gpw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri_gpw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_eri_gpw.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_gw_im_time_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_gw_im_time_util.F rpa_gw_im_time_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:31 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_im_time_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw_im_time_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_ehess.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri_gpw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_eri_gpw.F90 /build/reproducible-path/cp2k-2025.1/src/xtb_ehess.F:227:13: 227 | IF (do_ewald) THEN @@ -58998,12 +59036,6 @@ 90 | LOGICAL :: defined, do_ewald, found | ^ note: 'do_ewald' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_im_time_force_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_types.F rpa_im_time_force_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:31 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time_force_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_im_time_force_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bse_iterative.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bse_iterative.F bse_iterative.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:33 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_iterative.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_iterative.F90 /build/reproducible-path/cp2k-2025.1/src/xtb_ehess_force.F:294:13: 294 | IF (do_ewald) THEN @@ -59014,49 +59046,43 @@ 103 | LOGICAL :: calculate_forces, defined, do_ewald, & | ^ note: 'do_ewald' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_gw_im_time_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_gw_im_time_util.F rpa_gw_im_time_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_im_time_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw_im_time_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_ri_gpw.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_im_time_force_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_types.F rpa_im_time_force_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time_force_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_im_time_force_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bse_iterative.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bse_iterative.F bse_iterative.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kernel_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_properties_dft.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_force_eval.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_iterative.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_iterative.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_env_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_env_types.F force_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:33 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_env_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_force.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_force.F fist_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:34 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_force.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_xc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_xc.F atom_xc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_xc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_xc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_force.F90 /build/reproducible-path/cp2k-2025.1/src/bse_iterative.F:995:24: 995 | SUBROUTINE compute_BZ(BZ, Z_vectors, B_iaQ_bse_local, B_bar_iaQ_bse_local, & | ^ Warning: 'compute_bz' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_xc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_xc.F atom_xc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:34 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_xc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_xc.F90 -/build/reproducible-path/cp2k-2025.1/src/force_env_types.F:736:45: - - 736 | i_force_eval(1) = main_force_eval - | ^ -Warning: 'main_force_eval' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/force_env_types.F:716:88: - - 716 | INTEGER :: iforce_eval, main_force_eval - | ^ -note: 'main_force_eval' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_operators.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'efield_tb_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/efield_tb_methods.F efield_tb_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:35 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_tb_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' efield_tb_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho0_ggrid.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho0_ggrid.F qs_rho0_ggrid.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_d4.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_ddapc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_ddapc.F cp_ddapc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:35 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_ggrid.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho0_ggrid.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:36 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_tb_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' efield_tb_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_ggrid.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho0_ggrid.F90 /build/reproducible-path/cp2k-2025.1/src/bse_iterative.F:1277:85: 1277 | B_iaQ_bse_local(i_occ, a_virt, LLL) @@ -59067,11 +59093,21 @@ 1238 | REAL(KIND=dp) :: alpha | ^ note: 'alpha' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_derivatives.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_d4.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_ri.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_ri.F hfx_ri.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:37 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_ri.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_ddapc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_ddapc.F cp_ddapc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc.F90 +/build/reproducible-path/cp2k-2025.1/src/force_env_types.F:736:45: + + 736 | i_force_eval(1) = main_force_eval + | ^ +Warning: 'main_force_eval' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/force_env_types.F:716:88: + + 716 | INTEGER :: iforce_eval, main_force_eval + | ^ +note: 'main_force_eval' was declared here /build/reproducible-path/cp2k-2025.1/src/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) @@ -59114,66 +59150,57 @@ 1079 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: A_full_reshaped | ^ note: 'a_full_reshaped.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_derivatives.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_energy_potential.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_ri.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_ri.F hfx_ri.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_ri.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_ks_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_image_charge.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot_minimizer.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot_minimizer.F qs_ot_minimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_minimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot_minimizer.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_fock_matrix.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_fock_matrix.F se_fock_matrix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_minimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot_minimizer.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_eeq.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mao_wfn_analysis.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mao_wfn_analysis.F mao_wfn_analysis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_wfn_analysis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_wfn_analysis.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mao_basis.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mao_basis.F mao_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_basis.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_ehess.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_ehess_force.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_basis.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_optimize_ri_basis.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_ri_libint.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_ri_libint.F mp2_ri_libint.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_libint.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_libint.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_eri_gpw.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_gw_im_time_util.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_ri_gpw.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bse_iterative.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'post_scf_bandstructure_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F post_scf_bandstructure_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' post_scf_bandstructure_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_atom.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F xas_tdp_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_atom.F90 /build/reproducible-path/cp2k-2025.1/src/hfx_ri.F:952:35: 952 | SUBROUTINE sort_unique_blkind_2d(blk_ind) | ^ Warning: 'sort_unique_blkind_2d' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_atom.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F xas_tdp_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' post_scf_bandstructure_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_force_eval.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_force_eval.F input_cp2k_force_eval.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_force_eval.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_force_eval.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_env_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_force.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'grrm_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/grrm_utils.F grrm_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grrm_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' grrm_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_xc.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_cdft_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_utils.F mixed_cdft_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_cdft_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optimize_embedding_potential.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optimize_embedding_potential.F optimize_embedding_potential.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_util.F qmmm_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_embedding_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_embedding_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_util.F90 /build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:521:93: 521 | hab_uncontr_d(ico, jcoz)] @@ -59354,23 +59381,34 @@ 403 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: hadb_contr, hadb_uncontr, hdab_contr, & | ^ note: 'hadb_contr.dim[2].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_env_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_force.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'grrm_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/grrm_utils.F grrm_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grrm_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' grrm_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_xc.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_cdft_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_utils.F mixed_cdft_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_cdft_utils.F90 /build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2136:40: 2136 | elements(i_kind) = atom_name | 1 Warning: CHARACTER expression will be truncated in assignment (3/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'efield_tb_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho0_ggrid.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_pairpot.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_pairpot.F qs_dispersion_pairpot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_pairpot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_pairpot.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optimize_embedding_potential.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optimize_embedding_potential.F optimize_embedding_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_embedding_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_embedding_potential.F90 /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_utils.F:975:69: 975 | mixed_cdft%sub_logger(i)%p%iter_info%project_name = c_val | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_util.F qmmm_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_util.F90 /build/reproducible-path/cp2k-2025.1/src/optimize_embedding_potential.F:1885:32: 1885 | SUBROUTINE inv_Hessian_update(grad, prev_grad, step, prev_inv_Hess, inv_Hess) @@ -59381,24 +59419,23 @@ 1992 | SUBROUTINE Hessian_update(grad, prev_grad, step, prev_Hess, Hess) | ^ Warning: 'hessian_update' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_ddapc.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_energy_potential.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot_minimizer.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'efield_tb_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_ks_matrix.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_ks_matrix.F xtb_ks_matrix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ks_matrix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_ks_matrix.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mao_basis.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho0_ggrid.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_ri_libint.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_ri_libint.F mp2_ri_libint.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:47 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_libint.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_libint.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_gpw_method.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F mp2_gpw_method.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_pairpot.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_pairpot.F qs_dispersion_pairpot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_pairpot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_pairpot.F90 +/build/reproducible-path/cp2k-2025.1/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-2025.1/src/mixed_cdft_utils.F:1523:77: + + 1523 | nzeroed_total, ub + | ^ +note: 'ub' was declared here /build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2519:41: 2519 | ALLOCATE (atom_from_bf_index(n_bf)) @@ -59409,7 +59446,15 @@ 2495 | j_bf, jatom, jatom_old, jcol, n_bf, & | ^ note: 'n_bf' declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:47 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw_method.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_gpw_method.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_ddapc.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot_minimizer.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_ks_matrix.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_ks_matrix.F xtb_ks_matrix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:03:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ks_matrix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_ks_matrix.F90 /build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2395:35: 2395 | ALLOCATE (atom_from_bf(n_bf)) @@ -59430,16 +59475,6 @@ 2360 | INTEGER :: col_global, handle, i, i_atom, i_atom_old, i_cell, i_mic_cell, i_row, j, j_atom, & | ^ note: 'i_mic_cell' was declared here -/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_utils.F:1569:37: - - 1569 | bounds = bounds - (n3/2) - 1 - | ^ -Warning: 'ub' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_utils.F:1523:77: - - 1523 | nzeroed_total, ub - | ^ -note: 'ub' was declared here /build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2245:19: 2245 | IF (i_kind .NE. kind_of(i_atom)) THEN @@ -59450,68 +59485,16 @@ 2193 | INTEGER :: handle, i_atom, i_global, i_kind, i_row, & | ^ note: 'i_atom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mao_basis.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_gpw_method.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F mp2_gpw_method.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw_method.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_gpw_method.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_eri.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_im_time.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F rpa_im_time.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_im_time.F90 -/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:302:94: - - 302 | 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-2025.1/src/mp2_gpw_method.F:128:56: - - 128 | 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-2025.1/src/mp2_gpw_method.F:348:68: - - 348 | 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-2025.1/src/mp2_gpw_method.F:131:62: - - 131 | 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-2025.1/src/mp2_gpw_method.F:147:65: - - 147 | 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-2025.1/src/mp2_gpw_method.F:378:36: - - 378 | IF (calc_ex) BIb_C = 0.0_dp - | ^ -Warning: 'bib_c.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:147:65: - - 147 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send - | ^ -note: 'bib_c.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:147:65: Warning: 'bib_c.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:378:36: - - 378 | IF (calc_ex) BIb_C = 0.0_dp - | ^ -Warning: 'bib_c.dim[1].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:147:65: - - 147 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send - | ^ -note: 'bib_c.dim[1].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:147:65: Warning: 'bib_c.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:378:36: - - 378 | IF (calc_ex) BIb_C = 0.0_dp - | ^ -Warning: 'bib_c.dim[2].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:147:65: - - 147 | 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_im_time.F90 /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_utils.F:1130:70: 1130 | ALLOCATE (mixed_cdft%matrix%mixed_mo_coeff(nforce_eval, nspins)) @@ -59588,21 +59571,83 @@ 1052 | TYPE(cp_fm_type), ALLOCATABLE, DIMENSION(:, :) :: matrix_p_tmp, mixed_matrix_p_tmp, & | ^ note: 'mixed_matrix_p_tmp.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_ri_grad.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_ri_grad.F mp2_ri_grad.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_grad.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot_scf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot_scf.F qs_ot_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot_scf.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_subgroups.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_subgroups.F qs_tddfpt2_subgroups.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_subgroups.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_subgroups.F90 +/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:302:94: + + 302 | my_I_occupied_end = my_I_occupied_start + vector_batch_I_size_group(i_group_counter) - 1 + | ^ +Warning: 'i_group_counter' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:128:56: + + 128 | 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-2025.1/src/mp2_gpw_method.F:348:68: + + 348 | 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-2025.1/src/mp2_gpw_method.F:131:62: + + 131 | 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-2025.1/src/mp2_gpw_method.F:147:65: + + 147 | 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-2025.1/src/mp2_gpw_method.F:378:36: + + 378 | IF (calc_ex) BIb_C = 0.0_dp + | ^ +Warning: 'bib_c.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:147:65: + + 147 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send + | ^ +note: 'bib_c.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:147:65: Warning: 'bib_c.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:378:36: + + 378 | IF (calc_ex) BIb_C = 0.0_dp + | ^ +Warning: 'bib_c.dim[1].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:147:65: + + 147 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send + | ^ +note: 'bib_c.dim[1].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:147:65: Warning: 'bib_c.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:378:36: + + 378 | IF (calc_ex) BIb_C = 0.0_dp + | ^ +Warning: 'bib_c.dim[2].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:147:65: + + 147 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send + | ^ +note: 'bib_c.dim[2].ubound' was declared here /build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F:1150:63: 1150 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: dso | ^ Warning: 'dso.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_ri_grad.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_ri_grad.F mp2_ri_grad.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bse_iterative.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_grad.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'post_scf_bandstructure_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot_scf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot_scf.F qs_ot_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot_scf.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'scine_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/scine_utils.F scine_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scine_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' scine_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'metadynamics_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadynamics_utils.F metadynamics_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' metadynamics_utils.F90 /build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F:1338:68: 1338 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: co, dsgf, pos @@ -59640,12 +59685,12 @@ | ^ note: 'dsgf.dim[1].ubound' was declared here /build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F:1338:68: Warning: 'dsgf.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_subgroups.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_subgroups.F qs_tddfpt2_subgroups.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_subgroups.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_subgroups.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'scine_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/scine_utils.F scine_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:54 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scine_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' scine_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_restart_force_eval.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_restart_force_eval.F input_restart_force_eval.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:12 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_force_eval.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_restart_force_eval.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cell_opt_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cell_opt_types.F cell_opt_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cell_opt_types.F90 /build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:412:54: 412 | nze_M_occ = nze_M_occ + nze @@ -59706,43 +59751,30 @@ 195 | occ_M_virt, occ_O, t1_flop | ^ note: 'occ_o' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_force_eval.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'metadynamics_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadynamics_utils.F metadynamics_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_restart_force_eval.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_restart_force_eval.F input_restart_force_eval.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' metadynamics_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_force_eval.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_restart_force_eval.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cell_opt_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cell_opt_types.F cell_opt_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'neb_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/neb_types.F neb_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cell_opt_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'thermal_region_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermal_region_utils.F thermal_region_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' thermal_region_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_admm_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_admm_methods.F atom_admm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' thermal_region_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_admm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_admm_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_types.F mc_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_admm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_admm_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_fxd.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F constraint_fxd.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:12:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_fxd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_fxd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_fxd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_fxd.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'motion_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion_utils.F motion_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' motion_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'environment.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/environment.F environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' motion_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' environment.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_vsite.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_vsite.F constraint_vsite.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_vsite.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_vsite.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'external_potential_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/external_potential_methods.F external_potential_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_vsite.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_vsite.F90 /build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:143:78: 143 | force(:, iparticle) = core_particle_set(shell_index)%f(:) @@ -59803,64 +59835,39 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"external_potential_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' external_potential_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'external_potential_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/external_potential_methods.F external_potential_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"external_potential_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' external_potential_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'grrm_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_electronic_structure.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F atom_electronic_structure.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:02 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_electronic_structure.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_electronic_structure.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_electronic_structure.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_electronic_structure.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_cdft_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_embedding_potential.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/atom_admm_methods.F:213:19: - - 213 | IF (rhf) THEN - | ^ -Warning: 'rhf' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atom_admm_methods.F:69:72: - - 69 | LOGICAL :: pp_calc, rhf - | ^ -note: 'rhf' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_util.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb_matrices.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb_matrices.F qs_dftb_matrices.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_matrices.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_matrices.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_matrices.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_matrices.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_se_forces.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_se_forces.F qmmm_se_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_se_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_se_forces.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_gapw_densities.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gapw_densities.F qs_gapw_densities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gapw_densities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gapw_densities.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vxc_atom.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_pairpot.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/hfx_ri.F:2456:55: - - 2456 | ri_data%dbcsr_time = ri_data%dbcsr_time + t2 - t1 - | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/hfx_ri.F:1803:78: - - 1803 | REAL(dp) :: pref, spin_fac, t1, t2 - | ^ -note: 't1' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_adiabatic_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc_adiabatic_utils.F xc_adiabatic_utils.F90 -/build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F:425:58: +/build/reproducible-path/cp2k-2025.1/src/atom_admm_methods.F:213:19: - 425 | grid_atom%rad(1:new_nr) = grid_atom%rad(first_ir:nr) - | ^ -Warning: 'first_ir' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F:407:68: + 213 | IF (rhf) THEN + | ^ +Warning: 'rhf' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_admm_methods.F:69:72: - 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xc_adiabatic_utils.F90 + 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gapw_densities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gapw_densities.F90 /build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:664:13: 664 | IF (need_x) THEN @@ -59881,17 +59888,13 @@ 454 | need_x, need_xc | ^ note: 'need_xc' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot_eigensolver.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot_eigensolver.F qs_ot_eigensolver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot_eigensolver.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_ks_matrix.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vxc_atom.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_matrices.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_matrices.F xtb_matrices.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_matrices.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_matrices.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ec_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ec_environment.F ec_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_pairpot.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_adiabatic_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc_adiabatic_utils.F xc_adiabatic_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xc_adiabatic_utils.F90 /build/reproducible-path/cp2k-2025.1/src/qmmm_se_forces.F:208:17: 208 | CPASSERT(iqm == number_qm_atoms) @@ -59902,10 +59905,22 @@ 89 | INTEGER :: handle, i, iatom, ikind, iqm, ispin, & | ^ note: 'iqm' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot_eigensolver.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot_eigensolver.F qs_ot_eigensolver.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_ks_matrix.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_matrices.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_matrices.F xtb_matrices.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot_eigensolver.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_matrices.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_matrices.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ec_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ec_environment.F ec_environment.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mao_wfn_analysis.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minbas_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minbas_methods.F minbas_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' minbas_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_ri_libint.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_gpw_method.mod' due to: target does not exist @@ -59914,19 +59929,19 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_ri_grad.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'post_scf_bandstructure_utils.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot_scf.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_subgroups.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:06 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' minbas_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmmx_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmmx_util.F qmmmx_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'scine_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'metadynamics_utils.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_restart_force_eval.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_opt_types.mod' due to: target does not exist @@ -59937,35 +59952,27 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'neb_md_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/neb_md_utils.F neb_md_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:06 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_fxd.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'motion_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'environment.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_md_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_md_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_vsite.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'external_potential_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_3x3.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_3x3.F constraint_3x3.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_3x3.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_3x3.F90 -/build/reproducible-path/cp2k-2025.1/src/motion/neb_md_utils.F:119:47: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_md_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_md_utils.F90 +/build/reproducible-path/cp2k-2025.1/src/hfx_ri.F:2456:55: - 119 | temp = 2.0_dp*akin/REAL(nvar, KIND=dp) - | ^ -Warning: 'nvar' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/motion/neb_md_utils.F:74:95: + 2456 | ri_data%dbcsr_time = ri_data%dbcsr_time + t2 - t1 + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/hfx_ri.F:1803:78: - 74 | INTEGER :: iatom, ivar, natom, nparticle, nvar - | ^ -note: 'nvar' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_4x6.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_4x6.F constraint_4x6.F90 + 1803 | REAL(dp) :: pref, spin_fac, t1, t2 + | ^ +note: 't1' was declared here +/build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F:425:58: + + 425 | grid_atom%rad(1:new_nr) = grid_atom%rad(first_ir:nr) + | ^ +Warning: 'first_ir' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F:407:68: + + 407 | INTEGER :: first_ir, ir, llmax_p1, na, new_nr, nr + | ^ +note: 'first_ir' was declared here /build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:322:13: 322 | IF (need_x) THEN @@ -59986,6 +59993,26 @@ 137 | need_x, need_xc, need_zmp | ^ note: 'need_xc' was declared here +/build/reproducible-path/cp2k-2025.1/src/motion/neb_md_utils.F:119:47: + + 119 | temp = 2.0_dp*akin/REAL(nvar, KIND=dp) + | ^ +Warning: 'nvar' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/motion/neb_md_utils.F:74:95: + + 74 | INTEGER :: iatom, ivar, natom, nparticle, nvar + | ^ +note: 'nvar' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_fxd.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'motion_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'environment.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_vsite.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/minbas_methods.F:171:14: 171 | ELSEIF (nmo /= nmx) THEN @@ -59996,7 +60023,21 @@ 87 | ndep, nmao, nmo, nmx, np, np1, nspin, & | ^ note: 'nmx' declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_4x6.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_4x6.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'external_potential_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_3x3.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_3x3.F constraint_3x3.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_3x3.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_3x3.F90 +/build/reproducible-path/cp2k-2025.1/src/qmmmx_util.F:570:76: + + 570 | CALL set_atomic_kind(atomic_kind=atomic_kind, name=kind_name_a(ik)) + | ^ +Warning: 'atomic_kind' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qmmmx_util.F:533:71: + + 533 | TYPE(atomic_kind_type), POINTER :: atomic_kind + | ^ +note: 'atomic_kind' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_dftb_matrices.F:365:22: 365 | IF (use_virial) THEN @@ -60007,62 +60048,49 @@ 110 | LOGICAL :: defined, found, omit_headers, use_virial | ^ note: 'use_virial' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_4x6.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_4x6.F constraint_4x6.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_se_energy.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_se_energy.F qmmm_se_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_4x6.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_4x6.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_se_energy.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_se_forces.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gapw_densities.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb_dispersion.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb_dispersion.F qs_dftb_dispersion.F90 -/build/reproducible-path/cp2k-2025.1/src/qmmmx_util.F:570:76: - - 570 | CALL set_atomic_kind(atomic_kind=atomic_kind, name=kind_name_a(ik)) - | ^ -Warning: 'atomic_kind' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qmmmx_util.F:533:71: - - 533 | TYPE(atomic_kind_type), POINTER :: atomic_kind - | ^ -note: 'atomic_kind' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_se_energy.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_adiabatic_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot_eigensolver.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minbas_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_pdos.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_pdos.F qs_pdos.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_dispersion.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_dispersion.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_direct_method.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F mp2_direct_method.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_dispersion.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_dispersion.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_direct_method.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_direct_method.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_lri_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_lri_utils.F qs_tddfpt2_lri_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_pdos.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_pdos.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_direct_method.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_direct_method.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_lri_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_lri_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_lri_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_lri_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_pot_saop.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc_pot_saop.F xc_pot_saop.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_pot_saop.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xc_pot_saop.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_pot_saop.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xc_pot_saop.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_atom.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_utils.F xas_tdp_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmmx_util.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gopt_f_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/gopt_f_types.F gopt_f_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' gopt_f_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' gopt_f_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'neb_md_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_admm_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_environment_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_environment_types.F mc_environment_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_misc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_misc.F mc_misc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_misc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_misc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_environment_types.F90 /build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1344:57: 1344 | BIb_RS_mat_rec(1:dimen, 1:Rsize_rec) @@ -60098,25 +60126,17 @@ 1254 | R_start, Rsize_rec, s, S_global, S_offset, S_offset_rec, Ssize_rec | ^ note: 'ssize_rec' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_pdos.F:659:95: - - 659 | r_ldos_p(ildos)%ldos%pdos_array(imo) = r_ldos_p(ildos)%ldos%pdos_array(imo)*dvol - | ^ -Warning: 'dvol' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_pdos.F:171:74: - - 171 | REAL(KIND=dp) :: dh(3, 3), dvol, e_fermi, r(3), r_vec(3), & - | ^ -note: 'dvol' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_misc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_misc.F mc_misc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_misc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_misc.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_move_control.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_move_control.F mc_move_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_move_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_move_control.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'colvar_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/colvar_methods.F colvar_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_move_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_move_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' colvar_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'thermostat_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_utils.F thermostat_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' colvar_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' thermostat_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_3x3.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_4x6.mod' due to: target does not exist @@ -60131,16 +60151,15 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_methods.F admm_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_dispersion.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' thermostat_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_output.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_output.F qs_scf_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_output.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_matrices.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_output.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ec_environment.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minbas_wfn_analysis.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minbas_wfn_analysis.F minbas_wfn_analysis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minbas_methods.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:843:96: 843 | task_counter_RS(global_counter, 4) = task_counter_RS(global_counter, 4) + 1 @@ -60181,7 +60200,16 @@ 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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' minbas_wfn_analysis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_pdos.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_pdos.F qs_pdos.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_pdos.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_pdos.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_lri_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gopt_f_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_grb.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_grb.F atom_grb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_grb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_grb.F90 /build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:1276:70: 1276 | tag_comp = enum_i2c(enum, colvar%xyz_diag_param%component) @@ -60197,31 +60225,6 @@ 1289 | tag_comp2 = enum_i2c(enum, colvar%xyz_outerdiag_param%components(2)) | 1 Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_lri_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gopt_f_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_grb.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_grb.F atom_grb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_grb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_grb.F90 -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:159:53: - - 159 | number_i_subset = number_groups/number_j_subset - | ^ -Warning: 'number_j_subset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:101:41: - - 101 | number_i_subset, number_j_subset, one, sqrt_number_groups, total_I_size_batch_group, & - | ^ -note: 'number_j_subset' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_environment_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_misc.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_move_control.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_fit.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_fit.F atom_fit.F90 /build/reproducible-path/cp2k-2025.1/src/atom_grb.F:765:69: 765 | WRITE (iunit, "(40I3)") nval, lmin, lmax, nprim, (nbas(l), l=lmin, lmax) @@ -60262,6 +60265,26 @@ 734 | INTEGER :: i, j, l, lmax, lmin, nval | ^ note: 'lmin' declared here +/build/reproducible-path/cp2k-2025.1/src/qs_pdos.F:659:95: + + 659 | r_ldos_p(ildos)%ldos%pdos_array(imo) = r_ldos_p(ildos)%ldos%pdos_array(imo)*dvol + | ^ +Warning: 'dvol' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_pdos.F:171:74: + + 171 | REAL(KIND=dp) :: dh(3, 3), dvol, e_fermi, r(3), r_vec(3), & + | ^ +note: 'dvol' was declared here +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:159:53: + + 159 | number_i_subset = number_groups/number_j_subset + | ^ +Warning: 'number_j_subset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:101:41: + + 101 | number_i_subset, number_j_subset, one, sqrt_number_groups, total_I_size_batch_group, & + | ^ +note: 'number_j_subset' was declared here /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_utils.F:317:38: 317 | IF ((nmolecule == 1) .AND. (nkind == 1)) nointer = .FALSE. @@ -60272,37 +60295,24 @@ 246 | last_atom, natom, natom_local, nkind, nmol_local, nmol_per_kind, nmolecule, nshell, & | ^ note: 'nmolecule' declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:19 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_fit.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_fit.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_tb_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F qmmm_tb_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:19 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_tb_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_ri.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_environment_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_pdos.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_misc.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_direct_method.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_move_control.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cg_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cg_utils.F cg_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cg_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'space_groups.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/space_groups.F space_groups.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/space_groups.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' space_groups.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermostat_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_fit.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_fit.F atom_fit.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_tb_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F qmmm_tb_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_fit.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_fit.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_tb_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_output.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_ri_kp.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F hfx_ri_kp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri_kp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_ri_kp.F90 -/build/reproducible-path/cp2k-2025.1/src/atom_fit.F:1868:21: - - 1868 | END FUNCTION rcpro - | ^ -Warning: 'yval' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atom_fit.F:1851:40: - - 1851 | FUNCTION rcpro(id, xval) RESULT(yval) - | ^ -note: 'yval' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_matrices.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minbas_wfn_analysis.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minbas_wfn_analysis.F minbas_wfn_analysis.F90 /build/reproducible-path/cp2k-2025.1/src/atom_grb.F:264:17: 264 | CPASSERT(fhomo > ABS(dene)) @@ -60313,6 +60323,12 @@ 94 | energy_ex(0:lmat), energy_ref, energy_vb(0:lmat), expzet, fhomo, o, prefac, rconf, rk, & | ^ note: 'fhomo' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' minbas_wfn_analysis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_direct_method.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cg_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cg_utils.F cg_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cg_utils.F90 /build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:5525:24: 5525 | colvar%ss = cv_val @@ -60323,12 +60339,6 @@ 5446 | REAL(kind=dp) :: cv_val, f1, ftmp(3) | ^ note: 'cv_val' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_output.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minbas_wfn_analysis.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_optimize_ri_basis.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_optimize_ri_basis.F mp2_optimize_ri_basis.F90 /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:1402:37: 1402 | force_ab = -fsr*rij/dr @@ -60339,7 +60349,9 @@ 1357 | REAL(KIND=dp) :: dr, drm, drp, dsr, fsr, qeff, rt1, rt2, & | ^ note: 'fsr' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_optimize_ri_basis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'space_groups.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/space_groups.F space_groups.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/space_groups.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' space_groups.F90 /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:898:13: 898 | IF (do_dftb) THEN @@ -60350,21 +60362,34 @@ 844 | LOGICAL :: defined, do_dftb, do_multipoles, do_xtb, & | ^ note: 'do_dftb' was declared here +/build/reproducible-path/cp2k-2025.1/src/atom_fit.F:1868:21: + + 1868 | END FUNCTION rcpro + | ^ +Warning: 'yval' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_fit.F:1851:40: + + 1851 | FUNCTION rcpro(id, xval) RESULT(yval) + | ^ +note: 'yval' was declared here /build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:2951:10: 2951 | e, ftmp(3), o0, rcb, rt2, rtmp(3), rtru, ru2, sine, ss(3), xba, xca, xcb, xdb, xdc, xt, & | ^ Warning: 'e' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermostat_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_ri.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_pdos.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_optimize_ri_basis.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_optimize_ri_basis.F mp2_optimize_ri_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_optimize_ri_basis.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'extended_system_dynamics.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/extended_system_dynamics.F extended_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' extended_system_dynamics.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'space_groups.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'al_system_dynamics.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_dynamics.F al_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:25 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' al_system_dynamics.F90 /build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:2035:19: 2035 | colvar%ss = r @@ -60375,6 +60400,14 @@ 1952 | 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' extended_system_dynamics.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cg_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'al_system_dynamics.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_dynamics.F al_system_dynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' al_system_dynamics.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'csvr_system_dynamics.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/csvr_system_dynamics.F csvr_system_dynamics.F90 /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:655:13: 655 | IF (do_dftb) THEN @@ -60385,19 +60418,9 @@ 608 | LOGICAL :: defined, do_dftb, do_xtb, found | ^ note: 'do_dftb' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'csvr_system_dynamics.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/csvr_system_dynamics.F csvr_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:25 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' csvr_system_dynamics.F90 -/build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:1690:3: - - 1690 | FUNCTION get_apc_index(a_index, c_index, qs_env) RESULT(i_index) - | ^ -Warning: 'get_apc_index' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:4641:30: - - 4641 | SUBROUTINE get_atom_3c_ints(t_3c_at, t_3c_ints, iatom, dim_at, idx_to_at) - | ^ -Warning: 'get_atom_3c_ints' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' csvr_system_dynamics.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gle_system_dynamics.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/gle_system_dynamics.F gle_system_dynamics.F90 /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:376:10: 376 | IF (do_dftb) THEN @@ -60408,18 +60431,10 @@ 323 | LOGICAL :: defined, do_dftb, do_multipoles, do_xtb, & | ^ note: 'do_dftb' was declared here -/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_dynamics.F:291:46: - - 291 | map_info%v_scale(imap) = 1.0_dp - | ^ -Warning: 'imap' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_dynamics.F:274:67: - - 274 | INTEGER :: i, imap - | ^ -note: 'imap' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gle_system_dynamics.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/gle_system_dynamics.F gle_system_dynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/gle_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' gle_system_dynamics.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'extended_system_init.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/extended_system_init.F extended_system_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' extended_system_init.F90 /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:276:10: 276 | IF (do_dftb) THEN @@ -60430,10 +60445,6 @@ 251 | LOGICAL :: do_dftb, do_xtb | ^ note: 'do_dftb' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/gle_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' gle_system_dynamics.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_lbfgs.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs.F cp_lbfgs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cp_lbfgs.F90 /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:160:10: 160 | IF (do_dftb) THEN @@ -60444,35 +60455,58 @@ 114 | LOGICAL :: defined, do_dftb, do_xtb, found | ^ note: 'do_dftb' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'extended_system_init.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/extended_system_init.F extended_system_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' extended_system_init.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_ri_kp.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F hfx_ri_kp.F90 +/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_dynamics.F:291:46: + + 291 | map_info%v_scale(imap) = 1.0_dp + | ^ +Warning: 'imap' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_dynamics.F:274:67: + + 274 | INTEGER :: i, imap + | ^ +note: 'imap' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri_kp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_ri_kp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minbas_wfn_analysis.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_pot_saop.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'extended_system_dynamics.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cg_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'space_groups.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'al_system_dynamics.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_dynamics.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_lbfgs.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs.F cp_lbfgs.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_grb.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_tb_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_gpw_energy.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_gpw_energy.F qmmm_gpw_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gpw_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs.F\"" -I'/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:04:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gpw_energy.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_methods.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gle_system_dynamics.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'extended_system_init.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'barostat_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/barostat_types.F barostat_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'thermostat_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_methods.F thermostat_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' barostat_types.F90 /build/reproducible-path/cp2k-2025.1/src/atom_fit.F:199:64: 199 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: xtob | ^ Warning: 'xtob.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'extended_system_init.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'barostat_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/barostat_types.F barostat_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' thermostat_methods.F90 /build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs.F:1370:38: 1370 | t(nbreak) = tl/(-neggi) @@ -60488,17 +60522,35 @@ 1285 | tu, wmc, wmp, wmw, zibp | ^ Warning: 'tu' 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:34 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' barostat_types.F90 +/build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:1690:3: + + 1690 | FUNCTION get_apc_index(a_index, c_index, qs_env) RESULT(i_index) + | ^ +Warning: 'get_apc_index' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:4641:30: + + 4641 | SUBROUTINE get_atom_3c_ints(t_3c_at, t_3c_ints, iatom, dim_at, idx_to_at) + | ^ +Warning: 'get_atom_3c_ints' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'barostat_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'barostat_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/barostat_utils.F barostat_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_barostats.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/input_cp2k_barostats.F input_cp2k_barostats.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' barostat_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/input_cp2k_barostats.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' input_cp2k_barostats.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gpw_energy.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_gpw_forces.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_gpw_forces.F qmmm_gpw_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:34 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gpw_forces.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gle_system_dynamics.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gpw_forces.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'barostat_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'thermostat_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_methods.F thermostat_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:34 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' thermostat_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_barostats.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_md.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/input_cp2k_md.F input_cp2k_md.F90 /build/reproducible-path/cp2k-2025.1/src/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)) @@ -60509,16 +60561,7 @@ 895 | iset, la | ^ note: 'la' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_grb.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'barostat_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'barostat_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/barostat_utils.F barostat_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_barostats.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/input_cp2k_barostats.F input_cp2k_barostats.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:36 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' barostat_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:36 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/input_cp2k_barostats.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' input_cp2k_barostats.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_md.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' input_cp2k_md.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_fit.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_kind_orbitals.o' due to: target does not exist @@ -60527,33 +60570,20 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_pseudo.F atom_pseudo.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_energy.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_energy.F atom_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_kind_orbitals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_kind_orbitals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_pseudo.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_pseudo.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_energy.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_basis.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_basis.F atom_basis.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'barostat_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_barostats.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_kind_orbitals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_kind_orbitals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_pseudo.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_pseudo.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_basis.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_lbfgs.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_md.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/input_cp2k_md.F input_cp2k_md.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_md.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' input_cp2k_md.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_optimize_ri_basis.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermostat_methods.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a thermostat_utils.o thermostat_types.o thermostat_methods.o thermostat_mapping.o input_cp2k_barostats.o gle_system_dynamics.o extended_system_mapping.o extended_system_init.o extended_system_dynamics.o csvr_system_mapping.o csvr_system_init.o csvr_system_dynamics.o barostat_utils.o barostat_types.o al_system_mapping.o al_system_init.o al_system_dynamics.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kthermostat.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_pseudo.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_basis.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermostat_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_md.mod' due to: target does not exist true @@ -60561,27 +60591,16 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/simpar_methods.F simpar_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_motion.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/start/input_cp2k_motion.F input_cp2k_motion.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/simpar_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' simpar_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gpw_forces.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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/simpar_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' simpar_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k_motion.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' input_cp2k_motion.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'simpar_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:41 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k_motion.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' input_cp2k_motion.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'colvar_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_pseudo.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_basis.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_optimize_ri_basis.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'colvar_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/colvar_utils.F colvar_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_clv.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_clv.F constraint_clv.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_util.F constraint_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'restraint.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/restraint.F restraint.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'metadynamics.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadynamics.F metadynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' colvar_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_clv.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_clv.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"restraint.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' restraint.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' metadynamics.F90 /build/reproducible-path/cp2k-2025.1/src/atom_energy.F:530:17: 530 | CPASSERT(fhomo > ABS(dene)) @@ -60592,15 +60611,25 @@ 493 | REAL(KIND=dp) :: dene, emax, expzet, fhomo, o, prefac, & | ^ note: 'fhomo' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'simpar_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_clv.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'colvar_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_util.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'colvar_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/colvar_utils.F colvar_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_clv.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_clv.F constraint_clv.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_util.F constraint_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'restraint.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/restraint.F restraint.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'metadynamics.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadynamics.F metadynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' colvar_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_clv.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_clv.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' metadynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"restraint.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' restraint.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gpw_forces.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint.F constraint.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_energy.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom.o' due to: target does not exist @@ -60615,17 +60644,33 @@ 377 | REAL(kind=dp) :: check_val, diff_ss, dt, ekin_w, fac_t, & | ^ note: 'check_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'restraint.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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_motion.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/start/input_cp2k.F input_cp2k.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' input_cp2k.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'metadynamics.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'restraint.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_clv.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'colvar_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'averages_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/averages_types.F averages_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_constraint_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_constraint_util.F topology_constraint_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/averages_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' averages_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_constraint_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_constraint_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint.F constraint.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_kind_orbitals.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hirshfeld_methods.o' due to: target does not exist @@ -60636,44 +60681,20 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_atomic_block.F qs_atomic_block.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_harris_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_harris_utils.F qs_harris_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/averages_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' averages_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hirshfeld_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_constraint_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_constraint_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sirius_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' sirius_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_atomic_block.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_atomic_block.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_motion.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harris_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_harris_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/start/input_cp2k.F input_cp2k.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' input_cp2k.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hirshfeld_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sirius_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' sirius_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_atomic_block.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_atomic_block.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harris_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_harris_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'sirius_interface.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_atomic_block.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_env_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_env_utils.F force_env_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:47 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_env_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'averages_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_environment_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_environment_types.F md_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_environment_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hirshfeld_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_cdft_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F mixed_cdft_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_cdft_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F qs_cdft_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_cdft_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_environment_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_environment_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_atomic_block.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/topology_constraint_util.F:739:51: @@ -60685,6 +60706,13 @@ 101 | INTEGER :: cind, first, first_atom, gind, handle, handle2, i, ii, itype, iw, j, k, k1loc, & | ^ note: 'itype' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_env_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_env_utils.F force_env_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_env_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_environment_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'wiener_process.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/wiener_process.F wiener_process.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'integrator_utils.o' due to: target does not exist @@ -60693,39 +60721,52 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/reftraj_util.F reftraj_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_conserved_quantities.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_conserved_quantities.F md_conserved_quantities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/wiener_process.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' wiener_process.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' integrator_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' reftraj_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_conserved_quantities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_conserved_quantities.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'free_energy_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/free_energy_methods.F free_energy_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/wiener_process.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' wiener_process.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' integrator_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_callback.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/glbopt_callback.F glbopt_callback.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/free_energy_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' free_energy_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:50 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/glbopt_callback.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' glbopt_callback.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_env_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_conserved_quantities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_conserved_quantities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/free_energy_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' free_energy_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' reftraj_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/glbopt_callback.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' glbopt_callback.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hirshfeld_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_callback.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_cdft_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F mixed_cdft_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_cdft_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F qs_cdft_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_cdft_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mdctrl_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mdctrl_methods.F mdctrl_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_constraint_util.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_harris_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'wiener_process.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology.F topology.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mdctrl_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho_methods.F qs_rho_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:51 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_env_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mdctrl_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_conserved_quantities.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F:534:79: 534 | INTEGER, DIMENSION(:), POINTER :: atomlist, dummylist, tmplist | ^ Warning: 'dummylist.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_callback.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mdctrl_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mdctrl_methods.F mdctrl_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mdctrl_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' mdctrl_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_constraint_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology.F topology.F90 /build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F:963:37: 963 | bounds = bounds - (n3/2) - 1 @@ -60736,39 +60777,49 @@ 912 | nzeroed_inner, ub | ^ note: 'ub' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mdctrl_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_conserved_quantities.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_subsys_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_subsys_methods.F cp_subsys_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_master.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/glbopt_master.F glbopt_master.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'free_energy_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'reftraj_util.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_subsys_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_master.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_master.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'integrator_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'free_energy_methods.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_cdft_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_cdft_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F qs_cdft_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_control_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F cp_control_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:54 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:54 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_control_utils.F90 -/build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:3697:113: - - 3697 | tensor_dims=[1, SIZE(bsizes_RI_ext_split), batch_size*SIZE(ri_data%bsizes_AO_split)]) - | ^ -Warning: 'batch_size' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:3620:70: - - 3620 | INTEGER :: batch_size, handle, i_img, i_RI, i_spin, & - | ^ -note: 'batch_size' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_master.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_subsys_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_subsys_methods.F cp_subsys_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm_master.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_master.F swarm_master.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_control_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_master.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_master.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_subsys_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eip_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eip_environment.F eip_environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'embed_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/embed_environment.F embed_environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_environment.F fist_environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_subsys_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_subsys_methods.F qs_subsys_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eip_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' embed_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_subsys_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ipi_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ipi_environment.F ipi_environment.F90 /build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:2244:51: 2244 | method = enum_i2c(enum, qs_control%method_id) @@ -60779,10 +60830,7 @@ 2249 | quadrature = enum_i2c(enum, qs_control%gapw_control%quadrature) | 1 Warning: CHARACTER expression will be truncated in assignment (20/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_master.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/glbopt_master.F glbopt_master.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_subsys_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_master.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_master.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ipi_environment.F90 /build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:2501:78: 2501 | i_val=ddapc_restraint_control%density_type) @@ -60793,11 +60841,38 @@ 2469 | TYPE(section_vals_type), POINTER :: ddapc_section | ^ note: 'ddapc_section' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_master.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_environment.F mixed_environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nnp_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nnp_environment.F nnp_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_master.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm_master.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_master.F swarm_master.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_master.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_master.F90 +/build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:3697:113: + + 3697 | tensor_dims=[1, SIZE(bsizes_RI_ext_split), batch_size*SIZE(ri_data%bsizes_AO_split)]) + | ^ +Warning: 'batch_size' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:3620:70: + + 3620 | INTEGER :: batch_size, handle, i_img, i_RI, i_spin, & + | ^ +note: 'batch_size' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eip_environment.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'embed_environment.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_subsys_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'embed_main.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/embed_main.F embed_main.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pwdft_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pwdft_environment.F pwdft_environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kg_correction.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kg_correction.F kg_correction.F90 /build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:1637:53: 1637 | t_control%auto_basis_p_lri_aux = isize @@ -60808,6 +60883,33 @@ 1579 | INTEGER :: handle, irep, isize, nrep | ^ note: 'isize' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pwdft_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' embed_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_correction.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_correction.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_update_s_mstruct.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_update_s_mstruct.F qs_update_s_mstruct.F90 +/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_update_s_mstruct.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_update_s_mstruct.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_wf_history_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_wf_history_methods.F qs_wf_history_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_wf_history_methods.F90 +/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:229:52: + + 229 | dft_control%auto_basis_ri_hfx = isize + | ^ +Warning: 'isize' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:110:94: + + 110 | INTEGER :: admmtype, excitations, irep, isize, & + | ^ +note: 'isize' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_restart.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_restart.F xas_restart.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_restart.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_restart.F90 /build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:927:34: 927 | DEALLOCATE (rs_single) @@ -60828,36 +60930,11 @@ 656 | DIMENSION(:) :: rs_single, rs_single_charge, rs_single_dr | ^ note: 'rs_single_charge.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_subsys_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eip_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eip_environment.F eip_environment.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'embed_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/embed_environment.F embed_environment.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_environment.F fist_environment.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_subsys_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_subsys_methods.F qs_subsys_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eip_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' embed_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_subsys_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ipi_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ipi_environment.F ipi_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ipi_environment.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_environment.F mixed_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_environment.F90 -/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:229:52: - - 229 | dft_control%auto_basis_ri_hfx = isize - | ^ -Warning: 'isize' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:110:94: - - 110 | INTEGER :: admmtype, excitations, irep, isize, & - | ^ -note: 'isize' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_post_tb.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_post_tb.F qs_scf_post_tb.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fxc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fxc.F qs_fxc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_tb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_post_tb.F90 /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:3857:44: 3857 | d_sum_Pm_dR = 0.0_dp @@ -61089,54 +61166,10 @@ 3526 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight | ^ note: 'weight.dim[0].stride' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nnp_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nnp_environment.F nnp_environment.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_master.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eip_environment.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'embed_environment.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'embed_main.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/embed_main.F embed_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' embed_main.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kg_correction.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kg_correction.F kg_correction.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_update_s_mstruct.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_update_s_mstruct.F qs_update_s_mstruct.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:13:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_correction.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_correction.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_update_s_mstruct.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_update_s_mstruct.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_control_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_wf_history_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_wf_history_methods.F qs_wf_history_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_wf_history_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/embed_main.F:159:62: - - 159 | embed_env%sub_logger(i)%p%iter_info%project_name = c_val - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_restart.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_restart.F xas_restart.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_restart.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_restart.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:1163:66: - - 1163 | TYPE(pw_r3d_rs_type), DIMENSION(:), POINTER :: charge, rho_r - | ^ -Warning: 'charge.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:1163:66: Warning: 'charge.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_post_tb.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_post_tb.F qs_scf_post_tb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_tb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_post_tb.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fxc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fxc.F qs_fxc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fxc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fxc.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dcdr_ao.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dcdr_ao.F qs_dcdr_ao.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr_ao.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dcdr_ao.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr_ao.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dcdr_ao.F90 /build/reproducible-path/cp2k-2025.1/src/nnp_environment.F:655:107: 655 | WRITE (unit_nr, *) TRIM(printtag)//"| Reading scaling information from file: ", TRIM(file_name) @@ -61147,51 +61180,42 @@ 260 | unit_nr | ^ note: 'unit_nr' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:434:78: - - 434 | dP_i_dRj(:, iatom, jatom) = ds_dR_j(:)/tmp_const - | ^ -Warning: 'dp_i_drj.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:159:68: - - 159 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :, :) :: dP_i_dRj - | ^ -note: 'dp_i_drj.dim[2].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:309:38: - - 309 | d_sum_Pm_dR = 0.0_dp - | ^ -Warning: 'd_sum_pm_dr.dim[1].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:158:71: - - 158 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: d_sum_Pm_dR, dP_i_dRi - | ^ -note: 'd_sum_pm_dr.dim[1].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:434:78: - - 434 | dP_i_dRj(:, iatom, jatom) = ds_dR_j(:)/tmp_const - | ^ -Warning: 'dp_i_drj.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:159:68: - - 159 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :, :) :: dP_i_dRj - | ^ -note: 'dp_i_drj.offset' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:469:115: - - 469 | group(igroup)%coeff(ip)*dP_i_dRi(:, iatom) - | ^ -Warning: 'ip' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:146:96: +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:1163:66: - 146 | INTEGER :: handle, i, iatom, igroup, ind(3), ip, j, & - | ^ -note: 'ip' was declared here + 1163 | TYPE(pw_r3d_rs_type), DIMENSION(:), POINTER :: charge, rho_r + | ^ +Warning: 'charge.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:1163:66: Warning: 'charge.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_types.F qs_tddfpt2_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:02 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kernel_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_kernel_methods.F qs_kernel_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kernel_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kernel_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_densities.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_densities.F qs_tddfpt2_densities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_densities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_densities.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ipi_environment.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_environment.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_propagation_utils.F rt_propagation_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_propagation_utils.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_kernel_methods.F:123:83: + + 123 | dbcsr_dist=dbcsr_dist, sab=sab_orb) + | ^ +Warning: 'matrix_s.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_kernel_methods.F:88:68: + + 88 | TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_s, rho_ia_ao + | ^ +note: 'matrix_s.data' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'embed_main.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_environment.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:1250:91: 1250 | density_matrix(istate, ispin)%matrix, name="DENSITY_MATRIX") @@ -61222,94 +61246,106 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kernel_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kernel_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_densities.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_densities.F qs_tddfpt2_densities.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ipi_environment.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_environment.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_propagation_utils.F rt_propagation_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_densities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_densities.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'embed_main.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_environment.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_subsys_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pwdft_environment.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_propagation_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_correction.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_update_s_mstruct.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_control_utils.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_wf_history_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_restart.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fxc.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kernel_methods.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_main.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_main.F mixed_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_main.F90 -/build/reproducible-path/cp2k-2025.1/src/mixed_main.F:158:62: - - 158 | mixed_env%sub_logger(i)%p%iter_info%project_name = c_val - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'nnp_environment.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pwdft_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pwdft_environment.F pwdft_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:06 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pwdft_environment.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dcdr_ao.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_nnp.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_nnp.F helium_nnp.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_cdft_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_main.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_apply_restraints.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_apply_restraints.F qs_ks_apply_restraints.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_kernel_methods.F:123:83: +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:434:78: - 123 | dbcsr_dist=dbcsr_dist, sab=sab_orb) - | ^ -Warning: 'matrix_s.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_kernel_methods.F:88:68: + 434 | dP_i_dRj(:, iatom, jatom) = ds_dR_j(:)/tmp_const + | ^ +Warning: 'dp_i_drj.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:159:68: - 88 | TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_s, rho_ia_ao + 159 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :, :) :: dP_i_dRj | ^ -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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_nnp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_nnp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_apply_restraints.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_apply_restraints.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kernel_methods.mod' due to: target does not exist -true +note: 'dp_i_drj.dim[2].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:309:38: + + 309 | d_sum_Pm_dR = 0.0_dp + | ^ +Warning: 'd_sum_pm_dr.dim[1].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:158:71: + + 158 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: d_sum_Pm_dR, dP_i_dRi + | ^ +note: 'd_sum_pm_dr.dim[1].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:434:78: + + 434 | dP_i_dRj(:, iatom, jatom) = ds_dR_j(:)/tmp_const + | ^ +Warning: 'dp_i_drj.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:159:68: + + 159 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :, :) :: dP_i_dRj + | ^ +note: 'dp_i_drj.offset' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:469:115: + + 469 | group(igroup)%coeff(ip)*dP_i_dRi(:, iatom) + | ^ +Warning: 'ip' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:146:96: + + 146 | INTEGER :: handle, i, iatom, igroup, ind(3), ip, j, & + | ^ +note: 'ip' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_nnp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_nnp.F90 +/build/reproducible-path/cp2k-2025.1/src/mixed_main.F:158:62: + + 158 | mixed_env%sub_logger(i)%p%iter_info%project_name = c_val + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_densities.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pwdft_environment.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_main.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_nnp.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_apply_restraints.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_cdft_methods.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_apply_restraints.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_apply_restraints.F qs_ks_apply_restraints.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_stda_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_stda_utils.F qs_tddfpt2_stda_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_restart.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_restart.F qs_tddfpt2_restart.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_apply_restraints.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_apply_restraints.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_smearing_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_smearing_methods.F qs_tddfpt2_smearing_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_soc_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_soc_utils.F qs_tddfpt2_soc_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_stda_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_smearing_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_smearing_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_restart.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_restart.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_soc_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_stda_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_restart.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_restart.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_smearing_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_smearing_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_soc_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_utils.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_apply_restraints.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:3373:97: 3373 | ALLOCATE (req_total(COUNT(mixed_cdft%dlb_control%recv_work_repl) + 2*COUNT(touched))) @@ -61340,17 +61376,12 @@ 2736 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched | ^ note: 'mask_recv.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_post_tb.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_restart.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_smearing_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_restart.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_soc_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_post_tb.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_soc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_soc.F qs_tddfpt2_soc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_soc.F90 /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_stda_utils.F:385:57: 385 | converged=converged) @@ -61361,11 +61392,16 @@ 349 | TYPE(dbcsr_type), POINTER :: sm_h, sm_s | ^ note: 'sm_s' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_soc_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_soc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_soc.F qs_tddfpt2_soc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_soc.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_stda_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_fhxc_forces.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_fhxc_forces.F qs_tddfpt2_fhxc_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:12 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_fhxc_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_fhxc_forces.F90 /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:2634:74: 2634 | my_work_size, natom, bo, bo_conf) @@ -61376,15 +61412,13 @@ 2285 | jatom, katom, my_work, my_work_size, natom, nforce_eval, nkind, np(3), npme, nthread, & | ^ note: 'my_work_size' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_soc.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_ri_kp.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_admm_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_admm_utils.F hfx_admm_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_admm_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_admm_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_soc.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_admm_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_admm_utils.F90 /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_fhxc_forces.F:526:30: 526 | IF (do_analytic .AND. .NOT. do_numeric) THEN @@ -61405,6 +61439,10 @@ 176 | do_numeric, gapw, gapw_xc, hfx_treat_lsd_in_core, is_rks_triplets, s_mstruct_changed, & | ^ note: 'do_numeric' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_cdft_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_fhxc_forces.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/hfx_admm_utils.F:1397:31: 1397 | energy%ex = ehfx + ehfxrt @@ -61433,18 +61471,16 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rtp_admm_methods.F rtp_admm_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_operators.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_operators.F qs_tddfpt2_operators.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rtp_admm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rtp_admm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_operators.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_operators.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_fhxc_forces.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_operators.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_operators.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:05:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rtp_admm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rtp_admm_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rtp_admm_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_operators.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_fhxc.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_fhxc.F qs_tddfpt2_fhxc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:14:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_fhxc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:06:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_fhxc.F90 /build/reproducible-path/cp2k-2025.1/src/qs_ks_utils.F:1377:67: 1377 | csign*cdft_control%strength(igroup)) @@ -61479,8 +61515,6 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_fhxc.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_im_time_force_types.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/commutator_rpnl.F:266:22: 266 | IF (set_radius_a(iset) + rprjc(1) < dac) CYCLE @@ -61717,8 +61751,8 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_moments.F qs_moments.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_commutators.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_commutators.F qs_commutators.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_commutators.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_commutators.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:40 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_moments.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_moments.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_commutators.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_commutators.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_moments.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_moments.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_commutators.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_moments.F:3217:13: @@ -61817,58 +61851,46 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dcdr_utils.F qs_dcdr_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'iao_analysis.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/iao_analysis.F iao_analysis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' efield_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecular_moments.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/molecular_moments.F molecular_moments.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_berry.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_efield_berry.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_methods.F qs_loc_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_local.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_efield_local.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ec_efield_local.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ec_efield_local.F ec_efield_local.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_berry.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_efield_berry.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dcdr_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_moments.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molecular_moments.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iao_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' iao_analysis.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ex_property_calculation.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ex_property_calculation.F ex_property_calculation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_local.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_efield_local.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bse_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bse_util.F bse_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' efield_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_efield_local.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_efield_local.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_vcd_ao.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F qs_vcd_ao.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ex_property_calculation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ex_property_calculation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd_ao.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vcd_ao.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_properties.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_properties.F qs_tddfpt2_properties.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dcdr_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iao_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' iao_analysis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_moments.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molecular_moments.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_efield_local.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_efield_local.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ex_property_calculation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ex_property_calculation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd_ao.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vcd_ao.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_properties.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_properties.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_properties.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_properties.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_delta_pulse.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_delta_pulse.F rt_delta_pulse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_delta_pulse.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_delta_pulse.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:11 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_delta_pulse.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_delta_pulse.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'efield_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ex_property_calculation.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_efield_local.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_im_time_force_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_velocity_gauge.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rt_propagation_velocity_gauge.F rt_propagation_velocity_gauge.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_efield_local.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:51 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_velocity_gauge.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rt_propagation_velocity_gauge.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:12 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_velocity_gauge.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rt_propagation_velocity_gauge.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ec_efield_local.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecular_moments.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_properties.F:1154:28: - - 1154 | SUBROUTINE project_vector(vin, vout, mos_occ, matrix_s) - | ^ -Warning: 'project_vector' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_properties.F:1203:25: - - 1203 | SUBROUTINE vec_product(va, vb, res) - | ^ -Warning: 'vec_product' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/src/qs_efield_berry.F:687:85: 687 | REAL(dp), DIMENSION(:, :, :), POINTER :: dcosab, dsinab, force_tmp @@ -61887,6 +61909,27 @@ 686 | REAL(dp), DIMENSION(:, :), POINTER :: cosab, iblock, rblock, sinab, work | ^ note: 'work.data' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecular_moments.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ex_property_calculation.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_properties.F:1154:28: + + 1154 | SUBROUTINE project_vector(vin, vout, mos_occ, matrix_s) + | ^ +Warning: 'project_vector' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_properties.F:1203:25: + + 1203 | SUBROUTINE vec_product(va, vb, res) + | ^ +Warning: 'vec_product' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_main.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_main.F qs_loc_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_main.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_delta_pulse.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_properties.F:840:64: 840 | CALL sort(weights_neg_abs_recv, INT(nexcs), inds) @@ -61907,30 +61950,16 @@ 661 | weights_recv | ^ note: 'weights_recv.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dcdr_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_op.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_op.F qs_linres_op.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_op.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_op.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_main.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_main.F qs_loc_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_main.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_delta_pulse.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_properties.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bse_util.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bse_properties.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bse_properties.F bse_properties.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:54 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_properties.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_properties.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_main.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dcdr_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_states.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_states.F qs_loc_states.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_states.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_states.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_op.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_op.F qs_linres_op.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_properties.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_properties.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_op.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_op.F90 /build/reproducible-path/cp2k-2025.1/src/qs_efield_berry.F:516:96: 516 | dcosab(:, :, i), dsinab(:, :, i), ldab, work, ldab) @@ -61941,6 +61970,27 @@ 204 | REAL(dp), DIMENSION(:, :), POINTER :: cosab, iblock, rblock, sinab, work | ^ note: 'work.data' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_properties.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_main.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_states.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_states.F qs_loc_states.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_states.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_states.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bse_properties.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bse_print.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bse_print.F bse_print.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_print.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_print.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_efield_berry.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_methods.F qs_ks_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_states.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'localization_tb.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/localization_tb.F localization_tb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_op.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_atom_current.o' due to: target does not exist @@ -61949,6 +61999,10 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_epr_ownutils.F qs_linres_epr_ownutils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_nmr_shift.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_nmr_shift.F qs_linres_nmr_shift.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"localization_tb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' localization_tb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_atom_current.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_atom_current.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_ownutils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_epr_ownutils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_shift.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_nmr_shift.F90 /build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:2400:69: 2400 | !$ hash = MOD((iatom - 1)*natom + jatom, nlock) + 1 @@ -61959,63 +62013,29 @@ 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_ownutils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_epr_ownutils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_atom_current.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_atom_current.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_shift.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_nmr_shift.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bse_properties.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bse_print.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bse_print.F bse_print.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:56 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_print.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_print.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_states.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'localization_tb.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/localization_tb.F localization_tb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"localization_tb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' localization_tb.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_efield_berry.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_methods.F qs_ks_methods.F90 /build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ed_analysis.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ed_analysis.F ed_analysis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ed_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ed_analysis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ed_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ed_analysis.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bse_print.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bse_full_diag.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bse_full_diag.F bse_full_diag.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_full_diag.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_full_diag.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'localization_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:15:59 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_full_diag.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_full_diag.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_epr_ownutils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_nmr_shift.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bse_full_diag.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_nmr_shift.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bse_main.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bse_main.F bse_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:01 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_main.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bse_main.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/ed_analysis.F:143:65: - - 143 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: atdet, atmul, mcharge, mweight - | ^ -Warning: 'atdet.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/ed_analysis.F:693:82: - - 693 | CALL write_atdet(unit_nr, atdet(:, 7), "Core Self Energy Corrections") - | ^ -Warning: 'atdet.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/ed_analysis.F:143:65: - - 143 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: atdet, atmul, mcharge, mweight - | ^ -note: 'atdet.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/ed_analysis.F:143:65: Warning: 'atdet.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_energy_init.o' due to: target does not exist @@ -62028,30 +62048,36 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_electric_field_gradient.F qs_electric_field_gradient.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_local_properties.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_local_properties.F qs_local_properties.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy_init.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_reference.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_reference.F qs_ks_reference.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy_init.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kpp1_env_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_kpp1_env_methods.F qs_kpp1_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_gradient.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_basis_gradient.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_gradient.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_basis_gradient.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_diagonalization.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_diagonalization.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_properties.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_local_properties.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_qs.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_qs.F almo_scf_qs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_diagonalization.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_diagonalization.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_electric_field_gradient.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_electric_field_gradient.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_properties.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_local_properties.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kpp1_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_reference.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_reference.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_qs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_qs.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1994:69: +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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_electric_field_gradient.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_electric_field_gradient.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_reference.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_reference.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kpp1_env_methods.F90 +/build/reproducible-path/cp2k-2025.1/src/ed_analysis.F:143:65: - 1994 | !$ hash = MOD((iatom - 1)*natom + jatom, nlock) + 1 - | ^ -Warning: 'natom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1868:81: + 143 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: atdet, atmul, mcharge, mweight + | ^ +Warning: 'atdet.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/ed_analysis.F:693:82: - 1868 | kbc, kkind, na, natom, nb, nkind, np, & - | ^ -note: 'natom' was declared here + 693 | CALL write_atdet(unit_nr, atdet(:, 7), "Core Self Energy Corrections") + | ^ +Warning: 'atdet.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/ed_analysis.F:143:65: + + 143 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: atdet, atmul, mcharge, mweight + | ^ +note: 'atdet.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/ed_analysis.F:143:65: Warning: 'atdet.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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_qs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_qs.F90 /build/reproducible-path/cp2k-2025.1/src/qs_electric_field_gradient.F:332:52: 332 | efg_pw(:, :, :) = efg_pw(:, :, :)*efg_units @@ -62064,9 +62090,42 @@ note: 'efg_pw.dim[2].ubound' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_post_se.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_post_se.F qs_scf_post_se.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1994:69: + + 1994 | !$ hash = MOD((iatom - 1)*natom + jatom, nlock) + 1 + | ^ +Warning: 'natom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1868:81: + + 1868 | kbc, kkind, na, natom, nb, nkind, np, & + | ^ +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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_se.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_post_se.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_epr_nablavks.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_epr_nablavks.F qs_linres_epr_nablavks.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_se.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_post_se.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_correction.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_correction.F xas_tdp_correction.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_nablavks.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_epr_nablavks.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_correction.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_correction.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_electric_field_gradient.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_local_properties.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_reference.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_basis_gradient.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_exx.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_exx.F hfx_exx.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_forces.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_forces.F qs_tddfpt2_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_exx.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_exx.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_forces.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_energy_init.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_outer_scf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_outer_scf.F qs_outer_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_outer_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_outer_scf.F90 /build/reproducible-path/cp2k-2025.1/src/almo_scf_qs.F:249:47: 249 | ALLOCATE (distr_new_array(nlength)) @@ -62077,7 +62136,13 @@ 130 | nblkrows_tot, nlength, nmols, row | ^ note: 'nlength' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:06 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_nablavks.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_epr_nablavks.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ed_analysis.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kpp1_env_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optbas_fenv_manipulation.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optbas_fenv_manipulation.F optbas_fenv_manipulation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_fenv_manipulation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optbas_fenv_manipulation.F90 /build/reproducible-path/cp2k-2025.1/src/almo_scf_qs.F:1308:63: 1308 | rvdw=contact1_radius) @@ -62118,38 +62183,16 @@ 860 | distance, distance_squared, overlap, & | ^ note: 'overlap' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_correction.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_correction.F xas_tdp_correction.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:06 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_correction.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_correction.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ed_analysis.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_electric_field_gradient.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_local_properties.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_basis_gradient.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_reference.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_outer_scf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_outer_scf.F qs_outer_scf.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_exx.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_exx.F hfx_exx.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_outer_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_outer_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_exx.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_exx.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_forces.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_forces.F qs_tddfpt2_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_forces.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kpp1_env_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_energy_init.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_p_env_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_p_env_methods.F qs_p_env_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optbas_fenv_manipulation.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optbas_fenv_manipulation.F optbas_fenv_manipulation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_p_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:09 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_fenv_manipulation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optbas_fenv_manipulation.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_atom_current.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_post_se.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_current.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_current.F qs_linres_current.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_p_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_current.F90 /build/reproducible-path/cp2k-2025.1/src/qs_outer_scf.F:482:44: 482 | ddapc_restraint_control%strength @@ -62160,12 +62203,6 @@ 453 | TYPE(ddapc_restraint_type), POINTER :: ddapc_restraint_control | ^ note: 'ddapc_restraint_control' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_qs.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_atom_current.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_optimizer.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_optimizer.F almo_scf_optimizer.F90 /build/reproducible-path/cp2k-2025.1/src/qs_outer_scf.F:415:88: 415 | ddapc_restraint_control%strength = scf_env%outer_scf%variables(1, ihistory + 1) @@ -62176,31 +62213,19 @@ 395 | TYPE(ddapc_restraint_type), POINTER :: ddapc_restraint_control | ^ note: 'ddapc_restraint_control' was declared here -/build/reproducible-path/cp2k-2025.1/src/rt_propagation_velocity_gauge.F:146:56: - - 146 | CALL get_ks_env(ks_env=ks_env, kpoints=kpoints) - | ^ -Warning: 'ks_env' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/rt_propagation_velocity_gauge.F:116:66: - - 116 | TYPE(qs_ks_env_type), POINTER :: ks_env - | ^ -note: 'ks_env' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_optimizer.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_current.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_current.F qs_linres_current.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_current.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_diagonalization.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_post_se.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_qs.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mom_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mom_methods.F qs_mom_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_optimizer.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_optimizer.F almo_scf_optimizer.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_epr_nablavks.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mom_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_velocity_gauge.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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_optimizer.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optbas_fenv_manipulation.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_exx.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_rse.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_rse.F rpa_rse.F90 /build/reproducible-path/cp2k-2025.1/src/xas_tdp_correction.F:516:46: 516 | nbatch_occ = MAX(1, nblk_occ/batch_size) @@ -62221,15 +62246,39 @@ 467 | max_iter, nbatch_occ, nbatch_virt, nblk_occ, nblk_virt, nblks(3), ndo_mo, nhomo, nlumo, & | ^ note: 'nblk_virt' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_exx.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/rt_propagation_velocity_gauge.F:146:56: + + 146 | CALL get_ks_env(ks_env=ks_env, kpoints=kpoints) + | ^ +Warning: 'ks_env' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/rt_propagation_velocity_gauge.F:116:66: + + 116 | TYPE(qs_ks_env_type), POINTER :: ks_env + | ^ +note: 'ks_env' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_rse.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_rse.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_outer_scf.F:143:84: + + 143 | scf_env%outer_scf%variables(:, ihistory) = ddapc_restraint_control%strength + | ^ +Warning: 'ddapc_restraint_control' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_outer_scf.F:111:83: + + 111 | TYPE(ddapc_restraint_type), POINTER :: ddapc_restraint_control + | ^ +note: 'ddapc_restraint_control' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_outer_scf.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_rse.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_rse.F rpa_rse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_rse.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_rse.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optbas_fenv_manipulation.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_environment_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_environment_methods.F qs_environment_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_velocity_gauge.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mom_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_environment_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_diagonalization.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mom_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mom_methods.F qs_mom_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mom_methods.F90 /build/reproducible-path/cp2k-2025.1/src/almo_scf_optimizer.F:3222:25: 3222 | SUBROUTINE split_v_blk(almo_scf_env) @@ -62245,35 +62294,6 @@ 4926 | SUBROUTINE opt_k_create_preconditioner(prec, vd_prop, f, x, oo_inv_x_tr, s, grad, & | ^ Warning: 'opt_k_create_preconditioner' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_outer_scf.F:143:84: - - 143 | scf_env%outer_scf%variables(:, ihistory) = ddapc_restraint_control%strength - | ^ -Warning: 'ddapc_restraint_control' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_outer_scf.F:111:83: - - 111 | TYPE(ddapc_restraint_type), POINTER :: ddapc_restraint_control - | ^ -note: 'ddapc_restraint_control' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_outer_scf.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_environment_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_environment_methods.F qs_environment_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_loop_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_loop_utils.F qs_scf_loop_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_environment_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_loop_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_loop_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_p_env_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_kernel.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_kernel.F qs_linres_kernel.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_2nd_kernel_ao.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_2nd_kernel_ao.F qs_2nd_kernel_ao.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt_utils.F qs_tddfpt_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_2nd_kernel_ao.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_2nd_kernel_ao.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_kernel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_kernel.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt_utils.F90 /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_forces.F:765:53: 765 | total_rho=rhotot) @@ -62284,22 +62304,28 @@ 677 | trho_xc_g | ^ note: 'trho_xc_g.data' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_rse.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_p_env_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_kernel.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_kernel.F qs_linres_kernel.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_2nd_kernel_ao.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_2nd_kernel_ao.F qs_2nd_kernel_ao.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt_utils.F qs_tddfpt_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_kernel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_kernel.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_2nd_kernel_ao.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_2nd_kernel_ao.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mom_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt_eigensolver.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt_eigensolver.F qs_tddfpt_eigensolver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt_eigensolver.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_environment_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_loop_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_loop_utils.F qs_scf_loop_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_loop_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_loop_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_rse.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_loop_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_environment_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_2nd_kernel_ao.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_forces.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_cphf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_cphf.F mp2_cphf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_cphf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_cphf.F90 /build/reproducible-path/cp2k-2025.1/src/qs_linres_current.F:1289:37: 1289 | END FUNCTION encode_ardbmdarb_func @@ -62310,7 +62336,19 @@ 1262 | FUNCTION encode_ardbmdarb_func(idir, ir) RESULT(func) | ^ note: 'func' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_forces.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt_eigensolver.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt_eigensolver.F qs_tddfpt_eigensolver.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_2nd_kernel_ao.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt_eigensolver.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_cphf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_cphf.F mp2_cphf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_cphf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_cphf.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_correction.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_loop_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt_eigensolver.F:292:19: @@ -62322,21 +62360,24 @@ 180 | CHARACTER :: mode | ^ note: 'mode[1]{lb: 1 sz: 1}' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_correction.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt_eigensolver.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt_module.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt_module.F qs_tddfpt_module.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_module.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt_module.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_module.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt_module.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_kernel.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ec_orth_solver.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ec_orth_solver.F ec_orth_solver.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_methods.F qs_linres_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:19 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_orth_solver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_orth_solver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:19 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_orth_solver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_orth_solver.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_current.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'transport.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/transport.F transport.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' transport.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt_module.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/mp2_cphf.F:1238:99: @@ -62349,11 +62390,6 @@ 1044 | residual_dot_search_vec, residual_new_dot_diff_search_vec_old, scale_result, & | ^ note: 'residual_new_dot_diff_search_vec_old' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_current.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'transport.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/transport.F transport.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' transport.F90 /build/reproducible-path/cp2k-2025.1/src/almo_scf_optimizer.F:2046:64: 2046 | TYPE(dbcsr_type), ALLOCATABLE, DIMENSION(:, :, :) :: m_B0 @@ -62390,6 +62426,11 @@ 2041 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: op_sm_set_almo, op_sm_set_qs | ^ note: 'op_sm_set_almo.data' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'transport.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_environment.F qs_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_environment.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dcdr.o' due to: target does not exist @@ -62404,16 +62445,11 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'response_solver.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/response_solver.F response_solver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_issc_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_issc_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dcdr.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_polar_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_polar_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_current_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"response_solver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' response_solver.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'transport.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_environment.F qs_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:23 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dcdr.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_current_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_polar_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_polar_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_issc_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_issc_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"response_solver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' response_solver.F90 /build/reproducible-path/cp2k-2025.1/src/mp2_cphf.F:518:41: 518 | mp2_env%p_screen = restore_p_screen @@ -62424,13 +62460,6 @@ 178 | do_exx, do_hfx, restore_p_screen | ^ note: 'restore_p_screen' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_cphf.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_polar_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_energies.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_energies.F md_energies.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:25 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_energies.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_energies.F90 /build/reproducible-path/cp2k-2025.1/src/almo_scf_optimizer.F:1321:84: 1321 | DO idim0 = 1, SIZE(op_sm_set_qs, 2) ! this loop is over miller ind @@ -62511,6 +62540,13 @@ 891 | line_search_error, localiz_coeff, localization_obj_function, next_step_size_guess, & | ^ note: 'next_step_size_guess' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_cphf.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_polar_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_energies.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_energies.F md_energies.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_energies.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_energies.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dcdr.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_linres_current_utils.F:1131:56: @@ -62535,11 +62571,9 @@ 265 | pv_scalar, pv_xx, pv_xx_nc | ^ note: 'pv_xx_nc' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_energies.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_optimizer.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_current_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_energies.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_environment.F:1347:87: @@ -62566,6 +62600,8 @@ 1450 | dispersion_env%parameter_file_name = se_control%dispersion_parameter_file | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_current_utils.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/qs_environment.F:1334:42: 1334 | IF (dftb_control%dispersion .AND. dftb_control%dispersion_type == dispersion_d3) THEN @@ -62586,6 +62622,14 @@ 647 | TYPE(xtb_control_type), POINTER :: xtb_control | ^ note: 'xtb_control' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_environment.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_eht_guess.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_eht_guess.F qs_eht_guess.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_create.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_create.F qmmm_create.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_eht_guess.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_eht_guess.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_create.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_create.F90 /build/reproducible-path/cp2k-2025.1/src/response_solver.F:882:79: 882 | TYPE(pw_r3d_rs_type), DIMENSION(:), POINTER :: rho_r_aux, rho_r_gs, rho_r_t, rhoz_r, & @@ -62626,27 +62670,19 @@ 842 | eps_ppnl, exc, exc_aux_fit, fconv, & | ^ note: 'exc_aux_fit' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_environment.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_eht_guess.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_eht_guess.F qs_eht_guess.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_create.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_create.F qmmm_create.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:32 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_eht_guess.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_eht_guess.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:32 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_create.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_create.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_create.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmmx_create.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmmx_create.F qmmmx_create.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmmx_update.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmmx_update.F qmmmx_update.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_create.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_create.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_eht_guess.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:34 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_update.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_update.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_initial_guess.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_initial_guess.F qs_initial_guess.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:34 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_create.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_create.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:34 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_initial_guess.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_initial_guess.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_update.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_update.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:07:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_initial_guess.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_initial_guess.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmmx_create.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmmx_update.mod' due to: target does not exist @@ -62661,24 +62697,24 @@ 139 | natoms, natoms_tmp, nblocks, nelectron, nmo, nmo_tmp, not_read, nsgf, nspin, nvec, ounit, & | ^ note: 'not_read' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_initial_guess.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf_qs.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_qs.F dm_ls_scf_qs.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_initialization.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_initialization.F qs_scf_initialization.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'response_solver.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'excited_states.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/excited_states.F excited_states.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_im_time_force_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F rpa_im_time_force_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time_force_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_im_time_force_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"excited_states.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' excited_states.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_qs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_qs.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"excited_states.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' excited_states.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_initialization.F\"" -I'/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time_force_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_im_time_force_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'excited_states.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_initial_guess.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf_qs.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_qs.F dm_ls_scf_qs.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_initialization.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_initialization.F qs_scf_initialization.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:39 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_initialization.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_initialization.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:39 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_qs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_qs.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf_qs.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_chebyshev.o' due to: target does not exist @@ -62689,15 +62725,15 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_methods.F dm_ls_scf_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pexsi_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pexsi_methods.F pexsi_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_chebyshev.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_chebyshev.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pexsi_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_chebyshev.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_chebyshev.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pexsi_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_initialization.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_gamma2kp.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gamma2kp.F qs_gamma2kp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gamma2kp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gamma2kp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gamma2kp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gamma2kp.F90 /build/reproducible-path/cp2k-2025.1/src/dm_ls_chebyshev.F:115:90: 115 | REAL(KIND=dp) :: chev_T, chev_T_dos, dummy1, final, frob_matrix, initial, interval_a, & @@ -62740,6 +62776,12 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_chebyshev.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gamma2kp.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_wannier90.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_wannier90.F qs_wannier90.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_band_structure.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_band_structure.F qs_band_structure.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_param_equi.o' due to: target does not exist @@ -62750,18 +62792,12 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_param_gth.F pao_param_gth.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_param_linpot.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_param_linpot.F pao_param_linpot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_equi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_equi.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gamma2kp.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_wannier90.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_wannier90.F qs_wannier90.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_exp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_exp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_gth.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_gth.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_band_structure.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_band_structure.F qs_band_structure.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_linpot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_linpot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_band_structure.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_band_structure.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wannier90.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_wannier90.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_band_structure.F\"" -I'/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wannier90.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_wannier90.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_exp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_exp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_equi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_equi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_linpot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_linpot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_gth.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_gth.F90 /build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1701:69: 1701 | !$ hash = MOD((iatom - 1)*natom + jatom, nlock) + 1 @@ -62776,34 +62812,14 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_gw_kpoints_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_gw_kpoints_util.F rpa_gw_kpoints_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:47 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_kpoints_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw_kpoints_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:11 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_kpoints_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw_kpoints_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param_gth.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2761:54: - - 2761 | ALLOCATE (pgrid(0:pdims(1) - 1, 0:pdims(2) - 1)) - | ^ -Warning: 'pdims[0]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2690:96: - - 2690 | j_RI, jatom, lb_RI, n_RI, natom, ncoa, ncoms, nkind, nproc, nseta, o1, offset, pdims(2), & - | ^ -note: 'pdims[0]' was declared here -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2758:50: - - 2758 | col_dist(jatom) = MODULO(jatom, pdims(2)) - | ^ -Warning: 'pdims[1]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2690:96: - - 2690 | j_RI, jatom, lb_RI, n_RI, natom, ncoa, ncoms, nkind, nproc, nseta, o1, offset, pdims(2), & - | ^ -note: 'pdims[1]' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_wannier90.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_post_gpw.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_post_gpw.F qs_scf_post_gpw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_gpw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_post_gpw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:12 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_gpw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_post_gpw.F90 /build/reproducible-path/cp2k-2025.1/src/rpa_gw_kpoints_util.F:638:24: 638 | SUBROUTINE get_dummys(tj_dummy, tau_tj_dummy, weights_cos_tf_w_to_t_dummy) @@ -62828,6 +62844,26 @@ 1284 | REAL(KIND=dp) :: exp_kpoints, integral, k_sq, weight | ^ note: 'exp_kpoints' was declared here +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2761:54: + + 2761 | ALLOCATE (pgrid(0:pdims(1) - 1, 0:pdims(2) - 1)) + | ^ +Warning: 'pdims[0]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2690:96: + + 2690 | j_RI, jatom, lb_RI, n_RI, natom, ncoa, ncoms, nkind, nproc, nseta, o1, offset, pdims(2), & + | ^ +note: 'pdims[0]' was declared here +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2758:50: + + 2758 | col_dist(jatom) = MODULO(jatom, pdims(2)) + | ^ +Warning: 'pdims[1]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2690:96: + + 2690 | j_RI, jatom, lb_RI, n_RI, natom, ncoa, ncoms, nkind, nproc, nseta, o1, offset, pdims(2), & + | ^ +note: 'pdims[1]' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_gw_kpoints_util.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_ri_2c.o' due to: target does not exist @@ -62836,27 +62872,27 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_util.F rpa_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_gw.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_gw.F rpa_gw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_2c.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_2c.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_2c.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_2c.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param_equi.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_param.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_param.F pao_param.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_io.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_io.F pao_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_util.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_exchange.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_exchange.F rpa_exchange.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:54 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_io.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_grad.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_grad.F rpa_grad.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_exchange.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_exchange.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_grad.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_grad.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_io.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_io.F pao_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_exchange.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_exchange.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_grad.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_grad.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_io.F90 /build/reproducible-path/cp2k-2025.1/src/rpa_exchange.F:936:106: 936 | CALL para_env%sendrecv(send_virt_indices(1:virt_counter), send_proc, recv_row_indices, recv_proc) @@ -62871,12 +62907,12 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_integrals.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_integrals.F mp2_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_integrals.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_io.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_ml.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_ml.F pao_ml.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:16:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_ml.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_ml.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_exchange.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:319:69: @@ -62893,6 +62929,17 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_methods.F pao_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_methods.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_scf_post_gpw.F:767:13: + + 767 | IF (compute_lumos) THEN + | ^ +Warning: 'compute_lumos' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_scf_post_gpw.F:249:43: + + 249 | LOGICAL :: check_write, compute_lumos, do_homo, do_kpoints, do_mixed, do_mo_cubes, do_stm, & + | ^ +note: 'compute_lumos' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1099:52: 1099 | maxsgf_set, na1, na2, natom, nb1, nb2, ncoa, ncoa_full, ncob, ncob_full, nkind, nseta, & @@ -62928,17 +62975,17 @@ 1100 | nsetb, nthread, sgfa, sgfb | ^ note: 'sgfb' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_scf_post_gpw.F:767:13: - - 767 | IF (compute_lumos) THEN - | ^ -Warning: 'compute_lumos' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_scf_post_gpw.F:249:43: - - 249 | LOGICAL :: check_write, compute_lumos, do_homo, do_kpoints, do_mixed, do_mo_cubes, do_stm, & - | ^ -note: 'compute_lumos' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_post_gpw.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_post_scf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_post_scf.F qs_scf_post_scf.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_utils.F qs_tddfpt2_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_output.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_propagation_output.F rt_propagation_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_post_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_propagation_output.F90 /build/reproducible-path/cp2k-2025.1/src/pao_methods.F:804:32: 804 | block_X(i, j) = old_Xij @@ -62959,22 +63006,16 @@ 699 | REAL(dp) :: delta, delta_max, eps, Gij_num | ^ note: 'gij_num' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_post_gpw.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_post_scf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_post_scf.F qs_scf_post_scf.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_utils.F qs_tddfpt2_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_output.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_propagation_output.F rt_propagation_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_post_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_propagation_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_main.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_main.F pao_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:03 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_main.F90 +/build/reproducible-path/cp2k-2025.1/src/rpa_grad.F:1172:27: + + 1172 | procs_recv(:) = -1 + | ^ +Warning: 'procs_recv.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/rpa_grad.F:1015:70: + + 1015 | INTEGER, ALLOCATABLE, DIMENSION(:) :: procs_recv + | ^ +note: 'procs_recv.dim[0].ubound' was declared here /build/reproducible-path/cp2k-2025.1/src/mp2_integrals.F:910:39: 910 | END SUBROUTINE mp2_ri_gpw_compute_in @@ -62985,35 +63026,19 @@ 287 | DIMENSION(:) :: intermed_mat, intermed_mat_gw | ^ note: 'intermed_mat_gw.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_im_time_force_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/rpa_grad.F:1172:27: - - 1172 | procs_recv(:) = -1 - | ^ -Warning: 'procs_recv.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/rpa_grad.F:1015:70: - - 1015 | INTEGER, ALLOCATABLE, DIMENSION(:) :: procs_recv - | ^ -note: 'procs_recv.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_main.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_main.F pao_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_main.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_post_scf.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf.F almo_scf.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf.F qs_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vcd_ao.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_vcd_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_vcd_utils.F qs_vcd_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vcd_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_main.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf_create.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_create.F dm_ls_scf_create.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf.F90 /build/reproducible-path/cp2k-2025.1/src/emd/rt_propagation_output.F:742:18: 742 | stride = section_get_ivals(dft_section, "REAL_TIME_PROPAGATION%PRINT%CURRENT%STRIDE") @@ -63039,29 +63064,42 @@ 945 | INTEGER, DIMENSION(maxspins) :: nmo_occ_avail, nmo_occ_selected, & | ^ note: 'nmo_occ_selected' declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:05 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_create.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_create.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_main.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf_create.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_create.F dm_ls_scf_create.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_create.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_create.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_grad.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_im_time_force_methods.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_eigensolver.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_eigensolver.F qs_tddfpt2_eigensolver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:06 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_eigensolver.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_eigensolver.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_output.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_propagation_methods.F rt_propagation_methods.F90 -/build/reproducible-path/cp2k-2025.1/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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_propagation_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vcd_ao.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:07 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_propagation_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_vcd_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_vcd_utils.F qs_vcd_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vcd_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_integrals.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vcd_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mfp.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mfp.F qs_mfp.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_vcd.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_vcd.F qs_vcd.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mfp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mfp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:08 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vcd.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_scf.F:1652:34: + + 1652 | alpha = alpha_ls + | ^ +Warning: 'alpha_ls' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_scf.F:1447:75: + + 1447 | REAL(KIND=dp) :: alpha, alpha_ls, factor, norm_ls + | ^ +note: 'alpha_ls' was declared here /build/reproducible-path/cp2k-2025.1/src/rpa_gw.F:4868:55: 4868 | energy_val = qp_energy - e_fermi - hedin_shift @@ -63082,36 +63120,13 @@ 4344 | level_energ_GW_start, omega, & | ^ note: 'level_energ_gw_start' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_scf.F:1652:34: - - 1652 | alpha = alpha_ls - | ^ -Warning: 'alpha_ls' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_scf.F:1447:75: - - 1447 | REAL(KIND=dp) :: alpha, alpha_ls, factor, norm_ls - | ^ -note: 'alpha_ls' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagator_init.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_propagator_init.F rt_propagator_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagator_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_propagator_init.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf_create.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagator_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_propagator_init.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_eigensolver.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf.F dm_ls_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_mfp.F:1348:13: - - 1348 | IF (jatom == last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_mfp.F:1270:84: - - 1270 | jatom, jkind, last_jatom, mepos, & - | ^ -note: 'last_jatom' was declared here /build/reproducible-path/cp2k-2025.1/src/rpa_gw.F:3837:63: 3837 | /REAL(degeneracy, KIND=dp) @@ -63122,8 +63137,18 @@ 3785 | INTEGER :: degeneracy, first_degenerate_level, i_deg_level, i_level_gw, j_deg_level, jquad, & | ^ note: 'first_degenerate_level' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_eigensolver.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vcd_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mfp.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mfp.F qs_mfp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_vcd.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_vcd.F qs_vcd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mfp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mfp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vcd.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf_create.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf.F dm_ls_scf.F90 /build/reproducible-path/cp2k-2025.1/src/qs_scf.F:293:45: 293 | scf_control%max_scf = max_scf_tmp @@ -63144,12 +63169,7 @@ 204 | LOGICAL :: converged, outer_scf_loop, should_stop | ^ note: 'outer_scf_loop' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vcd.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mfp.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_module.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_module.F qs_linres_module.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_fprint.o' due to: target does not exist @@ -63158,10 +63178,9 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tip_scan_methods.F tip_scan_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tp_scf.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tp_scf.F xas_tp_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_module.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_module.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fprint.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_fprint.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tip_scan_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' tip_scan_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tp_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tp_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fprint.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_fprint.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tip_scan_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' tip_scan_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tp_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tp_scf.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagator_init.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/tip_scan_methods.F:100:83: @@ -63169,6 +63188,20 @@ 100 | logger%iter_info%project_name = logger%iter_info%project_name//"+TIP_SCAN" | 1 Warning: CHARACTER expression will be truncated in assignment (80/89) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/qs_mfp.F:1348:13: + + 1348 | IF (jatom == last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_mfp.F:1270:84: + + 1270 | jatom, jkind, last_jatom, mepos, & + | ^ +note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tip_scan_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vcd.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf.F:664:63: 664 | extra_scf = maxscf_reached .OR. scf_converged @@ -63189,38 +63222,39 @@ 481 | LOGICAL :: check_convergence, diis_step, do_transport, extra_scf, maxscf_reached, & | ^ note: 'maxscf_reached' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tip_scan_methods.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_gw.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_main.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_main.F rpa_main.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_gw_sigma_x.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_gw_sigma_x.F rpa_gw_sigma_x.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_sigma_x.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw_sigma_x.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_sigma_x.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw_sigma_x.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mfp.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_module.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_module.F qs_linres_module.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_module.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_module.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'energy_corrections.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/energy_corrections.F energy_corrections.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_nonscf.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_nonscf.F qs_nonscf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nonscf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_nonscf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:14 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"energy_corrections.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' energy_corrections.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"energy_corrections.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' energy_corrections.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nonscf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_nonscf.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tp_scf.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_methods.F xas_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_fprint.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_methods.F qs_tddfpt2_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:15 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_module.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tp_scf.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_methods.F xas_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_nonscf.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/rpa_gw_sigma_x.F:384:13: @@ -63293,6 +63327,8 @@ 148 | TYPE(kpoint_type), POINTER :: kpoints, kpoints_Sigma | ^ note: 'kpoints_sigma' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_module.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_gw_sigma_x.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_methods.F:389:40: @@ -63311,12 +63347,12 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_methods.F xas_tdp_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_main.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_gpw.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_gpw.F mp2_gpw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_gpw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:08:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_gpw.F90 /build/reproducible-path/cp2k-2025.1/src/xas_tdp_methods.F:1528:41: 1528 | ALLOCATE (my_mos(n_states, nspins)) @@ -63327,8 +63363,6 @@ 1469 | n_search, n_states, nao, ndo_so, nj, & | ^ note: 'n_states' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'energy_corrections.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/xas_tdp_methods.F:2080:28: 2080 | ndo_so = ndo_mo*nspins @@ -63438,6 +63472,8 @@ 2474 | REAL(dp), DIMENSION(:), POINTER :: lr_evals | ^ note: 'lr_evals.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'energy_corrections.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_gpw.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2.o' due to: target does not exist @@ -63446,9 +63482,9 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_active_space_methods.F qs_active_space_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gw_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_utils.F gw_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_active_space_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_active_space_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/gw_utils.F:1209:69: @@ -63570,8 +63606,8 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_large_cell_gamma.F gw_large_cell_gamma.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gw_small_cell_full_kp.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_small_cell_full_kp.F gw_small_cell_full_kp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_large_cell_gamma.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_large_cell_gamma.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_small_cell_full_kp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_small_cell_full_kp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_small_cell_full_kp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_small_cell_full_kp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_large_cell_gamma.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_large_cell_gamma.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_active_space_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/gw_large_cell_gamma.F:1303:36: @@ -63597,28 +63633,30 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_main.F gw_main.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_bse_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_bse_types.F rt_bse_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_bse_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_bse_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_bse_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_bse_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gw_main.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'post_scf_bandstructure_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_methods.F post_scf_bandstructure_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' post_scf_bandstructure_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' post_scf_bandstructure_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'post_scf_bandstructure_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_energy_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_energy_utils.F qs_energy_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:46 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_energy_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_energy.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_energy.F qs_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:50 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_bse_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_bse_io.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_bse_io.F rt_bse_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:51 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_bse_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_bse_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_bse_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_bse_io.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_bse_io.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_energy.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_force.o' due to: target does not exist @@ -63629,12 +63667,10 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mscfg_methods.F mscfg_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bsse.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bsse.F bsse.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_bse_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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bsse.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bsse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mscfg_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mscfg_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bsse.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bsse.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mscfg_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/negf_env_types.F:1034:13: @@ -63653,12 +63689,12 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_methods.F negf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:57 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_force.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_force.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_force.F qmmm_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:17:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_force.F90 /build/reproducible-path/cp2k-2025.1/src/negf_methods.F:1398:81: 1398 | gret_gamma_gadv_group @@ -63679,7 +63715,7 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmmx_force.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmmx_force.F qmmmx_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:00 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_force.F90 /build/reproducible-path/cp2k-2025.1/src/negf_methods.F:2718:84: 2718 | INTEGER :: handle, icontact, ipoint, ispin, & @@ -63704,7 +63740,7 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_env_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_env_methods.F force_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:02 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_env_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/force_env_methods.F:1875:94: @@ -63759,22 +63795,27 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp2k_debug.F cp2k_debug.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_coordinates.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_coordinates.F mc_coordinates.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_bse.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_bse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_driver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ipi_driver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp2k_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:10 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_coordinates.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_coordinates.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_bse.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_bse.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_driver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ipi_driver.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_coordinates.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_coordinates.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp2k_debug.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_main.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'f77_interface.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/f77_interface.F f77_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:11 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"f77_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' f77_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"f77_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' f77_interface.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ipi_driver.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp2k_debug.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_coordinates.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/f77_interface.F:1235:21: + + 1235 | SUBROUTINE get_vel(env_id, vel, n_el, ierr) + | ^ +Warning: 'get_vel' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a" /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_bse.mod' due to: target does not exist @@ -63782,11 +63823,6 @@ Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a rt_propagator_init.o rt_propagation_utils.o rt_propagation_output.o rt_propagation_methods.o rt_projection_mo_utils.o rt_make_propagators.o rt_hfx_utils.o rt_delta_pulse.o rt_bse_types.o rt_bse_io.o rt_bse.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kemd.a -/build/reproducible-path/cp2k-2025.1/src/f77_interface.F:1235:21: - - 1235 | SUBROUTINE get_vel(env_id, vel, n_el, ierr) - | ^ -Warning: 'get_vel' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'f77_interface.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'replica_types.o' due to: target does not exist @@ -63799,11 +63835,11 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_control.F mc_control.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_calculations.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_calculations.F tmc_calculations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_calculations.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_calculations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' replica_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' replica_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_calculations.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_calculations.F90 /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_control.F:290:54: 290 | atom_symbols(iunit) = atom_names(iunit, 1) @@ -63841,15 +63877,15 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/replica_methods.F replica_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_types.F pint_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_file_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_file_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_moves.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_moves.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' replica_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_file_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_file_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_moves.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_moves.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' replica_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_control.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_ge_moves.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_ge_moves.F mc_ge_moves.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ge_moves.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_ge_moves.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ge_moves.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_ge_moves.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_normalmode.o' due to: target does not exist @@ -63862,11 +63898,11 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_pile.F pint_pile.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_gle.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_gle.F pint_gle.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_staging.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_staging.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_public.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_public.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_pile.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_pile.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_normalmode.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_normalmode.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:18 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_gle.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_gle.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_normalmode.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_normalmode.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_staging.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_staging.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_public.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_public.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_pile.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_pile.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_gle.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_gle.F90 /build/reproducible-path/cp2k-2025.1/src/motion/pint_public.F:77:3: 77 | PURE FUNCTION pint_cog_pos(pint_env) RESULT(cntrd_r) @@ -63877,16 +63913,11 @@ 110 | SUBROUTINE pint_free_part_bead_x(n, t, rng_gaussian, x, nout) | ^ Warning: 'pint_free_part_bead_x' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_file_io.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_public.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_dot_tree.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_dot_tree.F tmc_dot_tree.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_common.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_common.F helium_common.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_pile.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_common.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_common.F90 /build/reproducible-path/cp2k-2025.1/src/replica_methods.F:252:42: 252 | rep_env%para_env => para_env_full @@ -63897,25 +63928,25 @@ 106 | TYPE(mp_para_env_type), POINTER :: para_env_f, para_env_full, & | ^ note: 'para_env_full' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:19 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_dot_tree.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_dot_tree.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:19 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_common.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_common.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_gle.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_input.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_basis.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_staging.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_pile.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_input.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_file_io.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_dot_tree.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_dot_tree.F tmc_dot_tree.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_dot_tree.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_dot_tree.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_normalmode.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_staging.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_transformations.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_transformations.F pint_transformations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:19 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_transformations.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_transformations.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'replica_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mode_selective.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mode_selective.F mode_selective.F90 /build/reproducible-path/cp2k-2025.1/src/motion/helium_common.F:1454:3: 1454 | PURE FUNCTION helium_bead_rij(helium, ia, ib, ja, jb) RESULT(rij) @@ -63966,12 +63997,12 @@ 2446 | PURE FUNCTION helium_rperpendicular(helium, ia, ib) RESULT(rperp) | ^ Warning: 'helium_rperpendicular' 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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mode_selective.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mode_selective.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_dot_tree.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'replica_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_cancelation.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_cancelation.F tmc_cancelation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_cancelation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_cancelation.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mode_selective.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mode_selective.F mode_selective.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_transformations.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_transformations.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mode_selective.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mode_selective.F90 /build/reproducible-path/cp2k-2025.1/src/motion/helium_common.F:350:31: 350 | DEALLOCATE (used_indices) @@ -63982,20 +64013,21 @@ 314 | INTEGER, DIMENSION(:), POINTER :: cur_cycle, used_indices | ^ note: 'used_indices' declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_dot_tree.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_moves.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_cancelation.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_cancelation.F tmc_cancelation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_cancelation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_cancelation.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_transformations.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_restarts.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/input_cp2k_restarts.F input_cp2k_restarts.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_io.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_io.F pint_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_restarts.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' input_cp2k_restarts.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:20 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_io.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_moves.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_cancelation.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_tree_references.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_references.F tmc_tree_references.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_restarts.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' input_cp2k_restarts.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_io.F90 /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_ge_moves.F:546:65: 546 | moves(molecule_type, insert_box)%moves%swap%attempts + 1 @@ -64016,37 +64048,47 @@ 469 | TYPE(force_env_p_type), DIMENSION(:), POINTER :: test_env, test_env_bias | ^ note: 'test_env_bias.data' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_references.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_references.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_cancelation.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_tree_references.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_references.F tmc_tree_references.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_references.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_references.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_tree_references.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_tree_search.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_search.F tmc_tree_search.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:21 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_search.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_search.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_search.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_search.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_common.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_interactions.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_interactions.F helium_interactions.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_interactions.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_interactions.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_interactions.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_interactions.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_tree_search.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_tree_build.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_build.F tmc_tree_build.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_build.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_build.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_io.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_qtb.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_qtb.F pint_qtb.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_piglet.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_piglet.F pint_piglet.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_build.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_build.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_qtb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_qtb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:22 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_piglet.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_piglet.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_qtb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_qtb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_piglet.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_piglet.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_ge_moves.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_interactions.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_io.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_io.F helium_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:24 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_io.F90 +/build/reproducible-path/cp2k-2025.1/src/mode_selective.F:844:100: + + 844 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: approx_H, H_save, residuum, tmp_b, tmp_s + | ^ +Warning: 'tmp_s.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mode_selective.F:844:100: Warning: 'tmp_s.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_tree_build.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_analysis.o' due to: target does not exist @@ -64055,15 +64097,9 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_messages.F tmc_messages.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_tree_acceptance.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_acceptance.F tmc_tree_acceptance.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:25 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_analysis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:25 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_messages.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_messages.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:25 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_acceptance.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_acceptance.F90 -/build/reproducible-path/cp2k-2025.1/src/mode_selective.F:844:100: - - 844 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: approx_H, H_save, residuum, tmp_b, tmp_s - | ^ -Warning: 'tmp_s.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mode_selective.F:844:100: Warning: 'tmp_s.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_analysis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_messages.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_messages.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_acceptance.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_acceptance.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_qtb.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/mode_selective.F:121:67: @@ -64093,6 +64129,8 @@ 277 | REAL(KIND=dp) :: my_val, norm | ^ note: 'my_val' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_piglet.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_acceptance.F:396:10: 396 | IF (parent_ready) THEN @@ -64115,35 +64153,33 @@ 1131 | REAL(KIND=dp) :: aver_box_scale(3), vol, voldr | ^ note: 'voldr' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_piglet.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mode_selective.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmain.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmain.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmain.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmain.a xtb_types.o xtb_potentials.o xtb_parameters.o xtb_matrices.o xtb_ks_matrix.o xtb_hcore.o xtb_hab_force.o xtb_ehess_force.o xtb_ehess.o xtb_eeq.o xtb_coulomb.o xray_diffraction.o xc_write_output.o xc_pot_saop.o xc_adiabatic_utils.o xc_adiabatic_methods.o xas_tp_scf.o xas_tdp_utils.o xas_tdp_types.o xas_tdp_methods.o xas_tdp_kernel.o xas_tdp_integrals.o xas_tdp_correction.o xas_tdp_atom.o xas_restart.o xas_methods.o xas_env_types.o xas_control.o wannier_states_types.o wannier_states.o wannier90.o voronoi_interface.o virial_methods.o uff_vdw_radii_table.o trexio_utils.o trexio.o transport_env_types.o transport.o torch_api.o topology_xyz.o topology_xtl.o topology_util.o topology_types.o topology_psf.o topology_pdb.o topology_multiple_unit_cell.o topology_input.o topology_gromos.o topology_generate_util.o topology_cp2k.o topology_coordinate_util.o topology_constraint_util.o topology_connectivity_util.o topology_cif.o topology_amber.o topology.o tip_scan_types.o tip_scan_methods.o task_list_types.o task_list_methods.o taper_types.o surface_dipole.o submatrix_types.o submatrix_dissection.o subcell_types.o stm_images.o statistical_methods.o spme.o splines_types.o splines_methods.o spglib_f08.o sockets_interface.o soc_pseudopotential_utils.o soc_pseudopotential_methods.o smeagol_matrix_utils.o smeagol_interface.o smeagol_emtoptions.o smeagol_control_types.o sirius_interface.o simpar_types.o shg_integrals_test.o semi_empirical_utils.o semi_empirical_types.o semi_empirical_store_int_types.o semi_empirical_parameters.o semi_empirical_par_utils.o semi_empirical_mpole_types.o semi_empirical_mpole_methods.o semi_empirical_integrals.o semi_empirical_int_utils.o semi_empirical_int_num.o semi_empirical_int_gks.o semi_empirical_int_debug.o semi_empirical_int_arrays.o semi_empirical_int_ana.o semi_empirical_int3_utils.o semi_empirical_expns3_types.o semi_empirical_expns3_methods.o se_fock_matrix_integrals.o se_fock_matrix_exchange.o se_fock_matrix_dbg.o se_fock_matrix_coulomb.o se_fock_matrix.o se_core_matrix.o se_core_core.o scine_utils.o scf_control_types.o sap_kind_types.o s_square_methods.o rtp_admm_methods.o rt_propagation_velocity_gauge.o rt_propagation_types.o rt_propagation_forces.o rpa_util.o rpa_sigma_functional.o rpa_rse.o rpa_main.o rpa_im_time_force_types.o rpa_im_time_force_methods.o rpa_im_time.o rpa_gw_sigma_x.o rpa_gw_kpoints_util.o rpa_gw_im_time_util.o rpa_gw_ic.o rpa_gw.o rpa_grad.o rpa_exchange.o rpa_communication.o rmsd.o ri_environment_methods.o restraint.o response_solver.o replica_types.o replica_methods.o rel_control_types.o qs_wf_history_types.o qs_wf_history_methods.o qs_wannier90.o qs_vxc_atom.o qs_vxc.o qs_vcd_utils.o qs_vcd_ao.o qs_vcd.o qs_update_s_mstruct.o qs_tensors_types.o qs_tensors.o qs_tddfpt_utils.o qs_tddfpt_types.o qs_tddfpt_module.o qs_tddfpt_eigensolver.o qs_tddfpt2_utils.o qs_tddfpt2_types.o qs_tddfpt2_subgroups.o qs_tddfpt2_stda_utils.o qs_tddfpt2_stda_types.o qs_tddfpt2_soc_utils.o qs_tddfpt2_soc_types.o qs_tddfpt2_soc.o qs_tddfpt2_smearing_methods.o qs_tddfpt2_restart.o qs_tddfpt2_properties.o qs_tddfpt2_operators.o qs_tddfpt2_methods.o qs_tddfpt2_lri_utils.o qs_tddfpt2_fprint.o qs_tddfpt2_forces.o qs_tddfpt2_fhxc_forces.o qs_tddfpt2_fhxc.o qs_tddfpt2_eigensolver.o qs_tddfpt2_densities.o qs_tddfpt2_assign.o qs_subsys_types.o qs_subsys_methods.o qs_spin_orbit.o qs_scf_wfn_mix.o qs_scf_types.o qs_scf_post_tb.o qs_scf_post_se.o qs_scf_post_scf.o qs_scf_post_gpw.o qs_scf_output.o qs_scf_methods.o qs_scf_loop_utils.o qs_scf_lanczos.o qs_scf_initialization.o qs_scf_diagonalization.o qs_scf_csr_write.o qs_scf_block_davidson.o qs_scf.o qs_sccs.o qs_rho_types.o qs_rho_methods.o qs_rho_atom_types.o qs_rho_atom_methods.o qs_rho0_types.o qs_rho0_methods.o qs_rho0_ggrid.o qs_resp.o qs_period_efield_types.o qs_pdos.o qs_p_env_types.o qs_p_env_methods.o qs_overlap.o qs_outer_scf.o qs_ot_types.o qs_ot_scf.o qs_ot_minimizer.o qs_ot_eigensolver.o qs_ot.o qs_operators_ao.o qs_oce_types.o qs_oce_methods.o qs_o3c_types.o qs_o3c_methods.o qs_nonscf_utils.o qs_nonscf.o qs_nl_hash_table_types.o qs_neighbor_lists.o qs_neighbor_list_types.o qs_moments.o qs_mom_types.o qs_mom_methods.o qs_mo_types.o qs_mo_occupation.o qs_mo_methods.o qs_mo_io.o qs_mixing_utils.o qs_mfp.o qs_matrix_w.o qs_matrix_pools.o qs_localization_methods.o qs_local_rho_types.o qs_local_properties.o qs_loc_utils.o qs_loc_types.o qs_loc_states.o qs_loc_molecules.o qs_loc_methods.o qs_loc_main.o qs_loc_dipole.o qs_linres_types.o qs_linres_polar_utils.o qs_linres_op.o qs_linres_nmr_utils.o qs_linres_nmr_shift.o qs_linres_nmr_epr_common_utils.o qs_linres_module.o qs_linres_methods.o qs_linres_kernel.o qs_linres_issc_utils.o qs_linres_epr_utils.o qs_linres_epr_ownutils.o qs_linres_epr_nablavks.o qs_linres_current_utils.o qs_linres_current.o qs_linres_atom_current.o qs_ks_utils.o qs_ks_types.o qs_ks_reference.o qs_ks_qmmm_types.o qs_ks_qmmm_methods.o qs_ks_methods.o qs_ks_atom.o qs_ks_apply_restraints.o qs_kpp1_env_types.o qs_kpp1_env_methods.o qs_kinetic.o qs_kind_types.o qs_kernel_types.o qs_kernel_methods.o qs_interactions.o qs_integrate_potential_single.o qs_integrate_potential_product.o qs_integrate_potential.o qs_integral_utils.o qs_initial_guess.o qs_hash_table_functions.o qs_harris_utils.o qs_harris_types.o qs_harmonics_atom.o qs_gspace_mixing.o qs_grid_atom.o qs_gcp_utils.o qs_gcp_types.o qs_gcp_method.o qs_gapw_densities.o qs_gamma2kp.o qs_fxc.o qs_force_types.o qs_force.o qs_fermi_contact.o qs_fb_trial_fns_types.o qs_fb_matrix_data_types.o qs_fb_input.o qs_fb_hash_table_types.o qs_fb_filter_matrix_methods.o qs_fb_env_types.o qs_fb_env_methods.o qs_fb_distribution_methods.o qs_fb_com_tasks_types.o qs_fb_buffer_types.o qs_fb_atomic_matrix_methods.o qs_fb_atomic_halo_types.o qs_external_potential.o qs_external_density.o qs_epr_hyp.o qs_environment_types.o qs_environment_methods.o qs_environment.o qs_energy_window.o qs_energy_utils.o qs_energy_types.o qs_energy_init.o qs_energy.o qs_elf_methods.o qs_electric_field_gradient.o qs_elec_field.o qs_eht_guess.o qs_efield_local.o qs_efield_berry.o qs_dos.o qs_dispersion_utils.o qs_dispersion_types.o qs_dispersion_pairpot.o qs_dispersion_nonloc.o qs_dispersion_d4.o qs_dispersion_d3.o qs_dispersion_d2.o qs_dispersion_cnum.o qs_diis_types.o qs_diis.o qs_dftb_utils.o qs_dftb_types.o qs_dftb_parameters.o qs_dftb_matrices.o qs_dftb_dispersion.o qs_dftb_coulomb.o qs_dftb3_methods.o qs_density_mixing_types.o qs_density_matrices.o qs_dcdr_utils.o qs_dcdr_ao.o qs_dcdr.o qs_core_hamiltonian.o qs_core_energies.o qs_condnum.o qs_commutators.o qs_collocate_density.o qs_charges_types.o qs_chargemol.o qs_charge_mixing.o qs_cdft_utils.o qs_cdft_types.o qs_cdft_scf_utils.o qs_cdft_opt_types.o qs_cdft_methods.o qs_block_davidson_types.o qs_basis_rotation_methods.o qs_basis_gradient.o qs_band_structure.o qs_atomic_block.o qs_active_space_utils.o qs_active_space_types.o qs_active_space_methods.o qs_2nd_kernel_ao.o qmmmx_util.o qmmmx_update.o qmmmx_types.o qmmmx_force.o qmmmx_create.o qmmm_util.o qmmm_types_low.o qmmm_types.o qmmm_topology_util.o qmmm_tb_methods.o qmmm_tb_coulomb.o qmmm_se_forces.o qmmm_se_energy.o qmmm_pw_grid.o qmmm_per_elpot.o qmmm_links_methods.o qmmm_init.o qmmm_image_charge.o qmmm_gpw_forces.o qmmm_gpw_energy.o qmmm_gaussian_types.o qmmm_gaussian_input.o qmmm_gaussian_init.o qmmm_gaussian_data.o qmmm_force.o qmmm_ff_fist.o qmmm_elpot.o qmmm_create.o qcschema.o pwdft_environment_types.o pwdft_environment.o pw_poisson_read_input.o pw_env_methods.o preconditioner_types.o preconditioner_solvers.o preconditioner_makes.o preconditioner_apply.o preconditioner.o post_scf_bandstructure_utils.o post_scf_bandstructure_types.o post_scf_bandstructure_methods.o population_analyses.o pme_tools.o pme.o pilaenv_hack.o pexsi_types.o pexsi_methods.o pexsi_interface.o paw_proj_set_types.o particle_methods.o parallel_gemm_api.o pao_types.o pao_potentials.o pao_param_methods.o pao_param_linpot.o pao_param_gth.o pao_param_fock.o pao_param_exp.o pao_param_equi.o pao_param.o pao_optimizer.o pao_model.o pao_ml_neuralnet.o pao_ml_gaussprocess.o pao_ml_descriptor.o pao_ml.o pao_methods.o pao_main.o pao_linpot_rotinv.o pao_linpot_full.o pao_io.o pao_input.o pair_potential_util.o pair_potential_types.o pair_potential_coulomb.o pair_potential.o outer_scf_control_types.o optimize_input.o optimize_embedding_potential.o optimize_dmfet_potential.o optimize_basis_utils.o optimize_basis_types.o optimize_basis.o optbas_opt_utils.o optbas_fenv_manipulation.o nnp_model.o nnp_force.o nnp_environment_types.o nnp_environment.o nnp_acsf.o negf_vectors.o negf_subgroup_types.o negf_methods.o negf_matrix_utils.o negf_integr_utils.o negf_integr_simpson.o negf_integr_cc.o negf_green_methods.o negf_green_cache.o negf_env_types.o negf_control_types.o negf_atom_map.o negf_alloc_types.o mulliken.o mscfg_types.o mscfg_methods.o mp2_types.o mp2_setup.o mp2_ri_libint.o mp2_ri_grad_util.o mp2_ri_grad.o mp2_ri_gpw.o mp2_ri_2c.o mp2_optimize_ri_basis.o mp2_laplace.o mp2_integrals.o mp2_grids.o mp2_gpw_method.o mp2_gpw.o mp2_eri_gpw.o mp2_eri.o mp2_direct_method.o mp2_cphf.o mp2.o motion_utils.o moments_utils.o molsym.o molecular_states.o molecular_moments.o molecular_dipoles.o molden_utils.o mol_force.o mode_selective.o mm_mapping_library.o mm_collocate_potential.o mixed_main.o mixed_environment_utils.o mixed_environment_types.o mixed_environment.o mixed_energy_types.o mixed_cdft_utils.o mixed_cdft_types.o mixed_cdft_methods.o minbas_wfn_analysis.o minbas_methods.o min_basis_set.o metadynamics_utils.o metadynamics_types.o metadynamics.o mdctrl_types.o maxwell_solver_interface.o matrix_exp.o mao_wfn_analysis.o mao_types.o mao_optimizer.o mao_methods.o mao_basis.o manybody_tersoff.o manybody_siepmann.o manybody_quip.o manybody_potential.o manybody_nequip.o manybody_gal21.o manybody_gal.o manybody_eam.o manybody_deepmd.o manybody_allegro.o ls_matrix_exp.o lri_optimize_ri_basis_types.o lri_optimize_ri_basis.o lri_ks_methods.o lri_integrals.o lri_forces.o lri_environment_types.o lri_environment_methods.o lri_environment_init.o lri_compression.o localization_tb.o local_gemm_api.o linesearch.o library_tests.o libint_wrapper.o libint_2c_3c.o libgrpp_integrals.o kpsym.o kpoint_types.o kpoint_transitional.o kpoint_methods.o kpoint_io.o kpoint_coulomb_2c.o kg_vertex_coloring_methods.o kg_tnadd_mat.o kg_environment_types.o kg_environment.o kg_correction.o iterate_matrix.o ipi_server.o ipi_environment_types.o ipi_environment.o ipi_driver.o integration_grid_types.o input_restart_rng.o input_restart_force_eval.o input_optimize_input.o input_optimize_basis.o input_cp2k_xc.o input_cp2k_xas.o input_cp2k_voronoi.o input_cp2k_transport.o input_cp2k_thermostats.o input_cp2k_tb.o input_cp2k_subsys.o input_cp2k_smeagol.o input_cp2k_se.o input_cp2k_scf.o input_cp2k_rsgrid.o input_cp2k_restarts_util.o input_cp2k_resp.o input_cp2k_read.o input_cp2k_qs.o input_cp2k_qmmm.o input_cp2k_pwdft.o input_cp2k_properties_dft.o input_cp2k_projection_rtp.o input_cp2k_print_dft.o input_cp2k_poisson.o input_cp2k_opt.o input_cp2k_nnp.o input_cp2k_negf.o input_cp2k_neb.o input_cp2k_mp2.o input_cp2k_motion_print.o input_cp2k_mm.o input_cp2k_mixed.o input_cp2k_ls.o input_cp2k_loc.o input_cp2k_kpoints.o input_cp2k_hfx.o input_cp2k_harris.o input_cp2k_global.o input_cp2k_free_energy.o input_cp2k_force_eval.o input_cp2k_field.o input_cp2k_external.o input_cp2k_exstate.o input_cp2k_embed.o input_cp2k_eip.o input_cp2k_ec.o input_cp2k_distribution.o input_cp2k_dft.o input_cp2k_constraints.o input_cp2k_colvar.o input_cp2k_check.o input_cp2k_binary_restarts.o input_cp2k_atprop.o input_cp2k_atom.o input_cp2k_as.o input_cp2k_almo.o input_constants.o iao_types.o iao_analysis.o hirshfeld_types.o hirshfeld_methods.o hfx_types.o hfx_screening_methods.o hfx_ri_kp.o hfx_ri.o hfx_pw_methods.o hfx_pair_list_methods.o hfx_load_balance_methods.o hfx_libint_interface.o hfx_helpers.o hfx_exx.o hfx_energy_potential.o hfx_derivatives.o hfx_compression_methods.o hfx_communication.o hfx_admm_utils.o header.o hdf5_wrapper.o hartree_local_types.o hartree_local_methods.o gw_utils.o gw_small_cell_full_kp.o gw_main.o gw_large_cell_gamma.o gw_kp_to_real_space_and_back.o gw_integrals.o gw_communication.o grrm_utils.o group_dist_types.o graphcon.o global_types.o gle_system_types.o generic_os_integrals.o gapw_1c_basis_set.o free_energy_types.o fp_types.o fp_methods.o force_fields_util.o force_fields_input.o force_fields_ext.o force_fields_all.o force_fields.o force_field_types.o force_env_utils.o force_env_types.o force_env_methods.o fist_pol_scf.o fist_nonbond_force.o fist_nonbond_env_types.o fist_neighbor_lists.o fist_neighbor_list_types.o fist_neighbor_list_control.o fist_main.o fist_intra_force.o fist_force.o fist_environment_types.o fist_environment.o fist_energy_types.o fist_efield_types.o fist_efield_methods.o fermi_utils.o farming_types.o farming_methods.o f77_interface.o external_potential_methods.o extended_system_types.o exstates_types.o exclusion_types.o excited_states.o ex_property_calculation.o ewalds_multipole.o ewalds.o ewald_spline_util.o ewald_pw_types.o ewald_pw_methods.o ewald_methods_tb.o ewald_environment_types.o et_coupling_types.o et_coupling_proj.o et_coupling.o environment.o energy_corrections.o embed_types.o embed_main.o embed_environment.o eip_silicon.o eip_environment_types.o eip_environment.o efield_utils.o efield_tb_methods.o eeq_method.o eeq_input.o eeq_data.o ed_analysis.o ec_orth_solver.o ec_methods.o ec_external.o ec_environment.o ec_env_types.o ec_efield_local.o domain_submatrix_types.o domain_submatrix_methods.o dm_ls_scf_types.o dm_ls_scf_qs.o dm_ls_scf_methods.o dm_ls_scf_curvy.o dm_ls_scf_create.o dm_ls_scf.o dm_ls_chebyshev.o dkh_main.o distribution_methods.o distribution_2d_types.o dgemm_counter_types.o dft_plus_u.o deepmd_wrapper.o debug_os_integrals.o ct_types.o ct_methods.o csvr_system_utils.o csvr_system_types.o cryssym.o cp_symmetry.o cp_subsys_methods.o cp_realspace_grid_init.o cp_realspace_grid_cube.o cp_external_control.o cp_eri_mme_interface.o cp_ddapc_util.o cp_ddapc_types.o cp_ddapc_methods.o cp_ddapc_forces.o cp_ddapc.o cp_dbcsr_output.o cp_dbcsr_operations.o cp_dbcsr_diag.o cp_dbcsr_cp2k_link.o cp_dbcsr_cholesky.o cp_control_utils.o cp_control_types.o cp2k_info.o cp2k_debug.o core_ppnl.o core_ppl.o core_ae.o constraint_vsite.o constraint_util.o constraint_fxd.o constraint_clv.o constraint_4x6.o constraint_3x3.o constraint.o commutator_rpnl.o commutator_rkinetic.o colvar_utils.o colvar_methods.o cell_methods.o bsse.o bse_util.o bse_properties.o bse_print.o bse_main.o bse_iterative.o bse_full_diag.o block_p_types.o beta_gamma_psi.o basis_set_output.o auto_basis.o atoms_input.o atomic_charges.o atom_xc.o atom_utils.o atom_upf.o atom_types.o atom_sgp.o atom_set_basis.o atom_pseudo.o atom_output.o atom_optimization.o atom_operators.o atom_kind_orbitals.o atom_grb.o atom_fit.o atom_energy.o atom_electronic_structure.o atom_basis.o atom_admm_methods.o atom.o almo_scf_types.o almo_scf_qs.o almo_scf_optimizer.o almo_scf_methods.o almo_scf_lbfgs_types.o almo_scf_env_methods.o almo_scf_diis_types.o almo_scf.o al_system_types.o admm_utils.o admm_types.o admm_methods.o admm_dm_types.o admm_dm_methods.o sockets.o torch_c_api.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmain.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'vibrational_analysis.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/vibrational_analysis.F vibrational_analysis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:27 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/vibrational_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' vibrational_analysis.F90 +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kmain.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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:09:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/vibrational_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' vibrational_analysis.F90 /build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:150: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:28 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_analysis.mod' due to: target does not exist -true +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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_messages.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_analysis.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_master.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_master.F tmc_master.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_worker.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_worker.F tmc_worker.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:28 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_master.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_master.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:28 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_worker.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_worker.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_master.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_master.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_worker.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_worker.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_io.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_worm.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_worm.F helium_worm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:29 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_worm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_worm.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_worm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_worm.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_restarts.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gopt_f_methods.o' due to: target does not exist @@ -64154,24 +64190,24 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_util.F md_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'neb_io.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/neb_io.F neb_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' gopt_f_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/rt_propagation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' rt_propagation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:30 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_io.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_master.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/rt_propagation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' rt_propagation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' gopt_f_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_io.F90 /build/reproducible-path/cp2k-2025.1/src/motion/neb_io.F:435:55: 435 | logger%iter_info%project_name = replica_proj_name | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_master.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_worker.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_setup.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_setup.F tmc_setup.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:31 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_setup.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_setup.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target '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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_setup.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_setup.F90 /build/reproducible-path/cp2k-2025.1/src/motion/vibrational_analysis.F:128:80: 128 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: polar_deriv, tmp_dip @@ -64237,9 +64273,11 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/bfgs_optimizer.F bfgs_optimizer.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_lbfgs_optimizer_gopt.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs_optimizer_gopt.F cp_lbfgs_optimizer_gopt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:33 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cg_optimizer.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:33 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/bfgs_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' bfgs_optimizer.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:33 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_optimizer_gopt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cp_lbfgs_optimizer_gopt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cg_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_optimizer_gopt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cp_lbfgs_optimizer_gopt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/bfgs_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' bfgs_optimizer.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_setup.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktmc.a' due to: target does not exist @@ -64247,35 +64285,33 @@ Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktmc.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktmc.a tmc_worker.o tmc_utils.o tmc_types.o tmc_tree_types.o tmc_tree_search.o tmc_tree_references.o tmc_tree_build.o tmc_tree_acceptance.o tmc_stati.o tmc_setup.o tmc_moves.o tmc_move_types.o tmc_move_handle.o tmc_messages.o tmc_master.o tmc_file_io.o tmc_dot_tree.o tmc_cancelation.o tmc_calculations.o tmc_analysis_types.o tmc_analysis.o input_cp2k_tmc.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2ktmc.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs_optimizer_gopt.F:341:29: 341 | SUBROUTINE cp_opt_gopt_get(optimizer, para_env, & | ^ Warning: 'cp_opt_gopt_get' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'vibrational_analysis.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cg_optimizer.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'shell_opt.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/shell_opt.F shell_opt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:35 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/shell_opt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' shell_opt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/shell_opt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' shell_opt.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'vibrational_analysis.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'shell_opt.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'integrator.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/integrator.F integrator.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_vel_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_vel_utils.F md_vel_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:37 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' integrator.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:37 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_vel_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_vel_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' integrator.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_vel_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_vel_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bfgs_optimizer.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_worm.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_sampling.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_sampling.F helium_sampling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:38 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_sampling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_sampling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_sampling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_sampling.F90 /build/reproducible-path/cp2k-2025.1/src/motion/integrator.F:1584:61: 1584 | element_kind_ref0 = particle_set(i)%atomic_kind%name @@ -64302,7 +64338,7 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_lbfgs_geo.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs_geo.F cp_lbfgs_geo.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:42 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_geo.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cp_lbfgs_geo.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_geo.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cp_lbfgs_geo.F90 /build/reproducible-path/cp2k-2025.1/src/motion/integrator.F:529:27: 529 | tmp%vel = v_old @@ -64317,32 +64353,32 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'velocity_verlet_control.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/velocity_verlet_control.F velocity_verlet_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/velocity_verlet_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' velocity_verlet_control.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_sampling.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_methods.F helium_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:43 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/velocity_verlet_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' velocity_verlet_control.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_lbfgs_geo.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'geo_opt.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/geo_opt.F geo_opt.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cell_opt.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cell_opt.F cell_opt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cell_opt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/geo_opt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' geo_opt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/geo_opt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' geo_opt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cell_opt.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_sampling.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_methods.F helium_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'velocity_verlet_control.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_run.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_run.F md_run.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:44 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_run.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_run.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_run.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_run.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_opt.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'geo_opt.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dimer_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/dimer_methods.F dimer_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:45 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' dimer_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' dimer_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dimer_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_run.mod' due to: target does not exist @@ -64357,16 +64393,21 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/glbopt_worker.F glbopt_worker.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tamc_run.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/tamc_run.F tamc_run.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_worker.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_worker.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/tamc_run.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' tamc_run.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f77_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' gopt_f77_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:48 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_moves.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_moves.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f77_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' gopt_f77_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_moves.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_moves.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_worker.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_worker.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/tamc_run.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' tamc_run.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_worker.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm_worker.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_worker.F swarm_worker.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:49 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_worker.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_worker.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_worker.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_worker.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_worker.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm.F swarm.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm.F90 /build/reproducible-path/cp2k-2025.1/src/motion/helium_methods.F:439:16: 439 | IF (expl_pot) THEN @@ -64377,11 +64418,6 @@ 125 | expl_pot, explicit, ltmp | ^ note: 'expl_pot' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_worker.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm.F swarm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:50 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm.F90 /build/reproducible-path/cp2k-2025.1/src/motion/neb_utils.F:482:46: 482 | forces%wrk(:, 1) = tmp_a ! Image A @@ -64403,24 +64439,24 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_methods.F pint_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_moves.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_ensembles.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_ensembles.F mc_ensembles.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:52 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ensembles.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_ensembles.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ensembles.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_ensembles.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'neb_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'neb_opt_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/neb_opt_utils.F neb_opt_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:53 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_opt_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_opt_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tamc_run.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'neb_opt_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'neb_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/neb_methods.F neb_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:55 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_methods.F90 /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_ensembles.F:142:54: 142 | start_atom_swap, start_atom_target, start_mol @@ -64435,7 +64471,7 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_run.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_run.F mc_run.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:18:58 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_run.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_run.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_run.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_run.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'neb_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_run.F:171:36: @@ -64475,32 +64511,32 @@ /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp2k_runs.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/start/cp2k_runs.F cp2k_runs.F90 /build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:158: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:19:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_runs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' cp2k_runs.F90 /build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:154: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:19:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:19:04 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_runs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' cp2k_runs.F90 +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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp2k_runs.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp2k_shell.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/start/cp2k_shell.F cp2k_shell.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'libcp2k.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/start/libcp2k.F libcp2k.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:19:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_shell.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' cp2k_shell.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:19:13 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/libcp2k.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' libcp2k.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/libcp2k.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' libcp2k.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_shell.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' cp2k_shell.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp2k_shell.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp2k.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/start/cp2k.F cp2k.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:19:16 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' cp2k.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' cp2k.F90 /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kstart.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kstart.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kstart.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kstart.a libcp2k.o input_cp2k_motion.o input_cp2k.o cp2k_shell.o cp2k_runs.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp/libcp2kstart.a /build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:182: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:19:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/reproducible-path/cp2k-2025.1/obj/Linux-aarch64-gfortran/psmp/all.dep:146: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Aug 23 00:19:17 -12 2025\"" -D__COMPILE_HOST="\"codethink04-arm64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-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-aarch64-gfortran\"" -D__COMPILE_DATE="\"Sat Sep 26 09:10:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-aarch64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-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/aarch64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/reproducible-path/cp2k-2025.1/Makefile:252: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-gfortran/cp2k_shell.psmp' due to: target does not exist cd /build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-gfortran; ln -sf cp2k.psmp cp2k_shell.psmp /build/reproducible-path/cp2k-2025.1/Makefile:249: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-aarch64-gfortran/cp2k.popt' due to: target does not exist @@ -64516,7 +64552,7 @@ sphinx-build -M html "." "_build" -n --keep-going --jobs 12 Running Sphinx v8.1.3 loading translations [en]... done -myst v4.0.1: MdParserConfig(commonmark_only=False, gfm_only=False, enable_extensions={'smartquotes', 'attrs_inline', 'strikethrough', 'dollarmath'}, disable_syntax=[], all_links_external=False, links_external_new_tab=False, url_schemes=('http', 'https', 'mailto', 'ftp'), ref_domains=None, fence_as_directive={'mermaid'}, number_code_blocks=[], title_to_header=False, heading_anchors=0, heading_slug_func=None, html_meta={}, footnote_sort=True, footnote_transition=True, words_per_minute=200, substitutions={}, linkify_fuzzy_links=True, dmath_allow_labels=True, dmath_allow_space=True, dmath_allow_digits=True, dmath_double_inline=False, update_mathjax=True, mathjax_classes='tex2jax_process|mathjax_process|math|output_area', enable_checkboxes=False, suppress_warnings=[], highlight_code_blocks=True) +myst v4.0.1: MdParserConfig(commonmark_only=False, gfm_only=False, enable_extensions={'dollarmath', 'attrs_inline', 'smartquotes', 'strikethrough'}, disable_syntax=[], all_links_external=False, links_external_new_tab=False, url_schemes=('http', 'https', 'mailto', 'ftp'), ref_domains=None, fence_as_directive={'mermaid'}, number_code_blocks=[], title_to_header=False, heading_anchors=0, heading_slug_func=None, html_meta={}, footnote_sort=True, footnote_transition=True, words_per_minute=200, substitutions={}, linkify_fuzzy_links=True, dmath_allow_labels=True, dmath_allow_space=True, dmath_allow_digits=True, dmath_double_inline=False, update_mathjax=True, mathjax_classes='tex2jax_process|mathjax_process|math|output_area', enable_checkboxes=False, suppress_warnings=[], highlight_code_blocks=True) building [mo]: targets for 0 po files that are out of date writing output... building [html]: targets for 74 source files that are out of date @@ -64768,7 +64804,6 @@ /build/reproducible-path/cp2k-2025.1/docs/methods/optimization/geometry.md:195: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.SUBSYS.COORD' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/optimization/geometry.md:195: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.SUBSYS' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/optimization/geometry.md:195: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL' [myst.xref_missing] -writing output... [ 15%] methods/dft/constrained .. methods/dft/hartree-fock/index /build/reproducible-path/cp2k-2025.1/docs/methods/post_hartree_fock/low-scaling.md:24: WARNING: 'myst' cross-reference target not found: 'Wilhelm2016b' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/post_hartree_fock/low-scaling.md:24: WARNING: 'myst' cross-reference target not found: 'Bussy2023' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/post_hartree_fock/low-scaling.md:47: WARNING: 'myst' cross-reference target not found: 'Bussy2023' [myst.xref_missing] @@ -64835,7 +64870,7 @@ /build/reproducible-path/cp2k-2025.1/docs/methods/properties/bandstructure_gw.md:270: WARNING: 'myst' cross-reference target not found: 'Graml2024' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/properties/bandstructure_gw.md:270: WARNING: 'myst' cross-reference target not found: 'Graml2024' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/properties/bandstructure_gw.md:276: WARNING: 'myst' cross-reference target not found: 'Graml2024' [myst.xref_missing] -writing output... [ 23%] methods/dft/hartree-fock/ri_gamma .. methods/dft/pseudopotentials +writing output... [ 15%] methods/dft/constrained .. methods/dft/hartree-fock/index /build/reproducible-path/cp2k-2025.1/docs/methods/properties/optical/bethe-salpeter.md:3: WARNING: 'myst' cross-reference target not found: 'Blase2018' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/properties/optical/bethe-salpeter.md:3: WARNING: 'myst' cross-reference target not found: 'Blase2020' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/properties/optical/bethe-salpeter.md:3: WARNING: 'myst' cross-reference target not found: 'Bruneval2015' [myst.xref_missing] @@ -64940,7 +64975,7 @@ /build/reproducible-path/cp2k-2025.1/docs/methods/properties/optical/tddft.md:502: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.PROPERTIES.TDDFPT.PRINT.NTO_ANALYSIS' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/properties/optical/tddft.md:502: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.PROPERTIES.TDDFPT.NLUMO' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/properties/optical/tddft.md:502: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.PROPERTIES.TDDFPT.PRINT.MOS_MOLDEN' [myst.xref_missing] -writing output... [ 31%] methods/embedding/index .. methods/machine_learning/nequip +writing output... [ 23%] methods/dft/hartree-fock/ri_gamma .. methods/dft/pseudopotentials /build/reproducible-path/cp2k-2025.1/docs/methods/properties/resp_charges.md:47: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.PROPERTIES' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/properties/resp_charges.md:63: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.DFT.CHARGE' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/properties/resp_charges.md:63: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.PROPERTIES.RESP.INTEGER_TOTAL_CHARGE' [myst.xref_missing] @@ -65001,7 +65036,7 @@ /build/reproducible-path/cp2k-2025.1/docs/methods/properties/x-ray/delta-kick.md:260: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.DFT.REAL_TIME_PROPAGATION.DELTA_PULSE_SCALE' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/properties/x-ray/delta-kick.md:270: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.DFT.REAL_TIME_PROPAGATION.PERIODIC' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/properties/x-ray/delta-kick.md:274: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.DFT.REAL_TIME_PROPAGATION.PERIODIC' [myst.xref_missing] -writing output... [ 38%] methods/machine_learning/nnp .. methods/post_hartree_fock/index +writing output... [ 31%] methods/embedding/index .. methods/machine_learning/nequip /build/reproducible-path/cp2k-2025.1/docs/methods/properties/x-ray/tddft.md:3: WARNING: 'myst' cross-reference target not found: 'Bussy2021' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/properties/x-ray/tddft.md:71: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.DFT.XAS_TDP' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/properties/x-ray/tddft.md:71: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.DFT' [myst.xref_missing] @@ -65074,7 +65109,7 @@ /build/reproducible-path/cp2k-2025.1/docs/methods/qm_mm/image_charges.md:104: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.QMMM.IMAGE_CHARGE.DETERM_COEFF' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/qm_mm/image_charges.md:110: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.QMMM.IMAGE_CHARGE.RESTART_IMAGE_MATRIX' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/qm_mm/image_charges.md:129: WARNING: 'myst' cross-reference target not found: 'SIEPMANN1995' [myst.xref_missing] -writing output... [ 46%] methods/post_hartree_fock/low-scaling .. methods/properties/index +writing output... [ 38%] methods/machine_learning/nnp .. methods/post_hartree_fock/index /build/reproducible-path/cp2k-2025.1/docs/methods/qm_mm/polarizable_force_field.md:7: WARNING: 'myst' cross-reference target not found: 'Devynck2012' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/sampling/ehrenfest.md:91: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.GLOBAL.RUN_TYPE' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/sampling/ehrenfest.md:91: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.MOTION.MD' [myst.xref_missing] @@ -65131,7 +65166,7 @@ /build/reproducible-path/cp2k-2025.1/docs/methods/sampling/langevin_dynamics.md:138: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.MOTION.MD.THERMAL_REGION.DEFINE_REGION.DO_LANGEVIN' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/sampling/langevin_dynamics.md:138: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.MOTION.MD.THERMAL_REGION.DO_LANGEVIN_DEFAULT' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/sampling/langevin_dynamics.md:138: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.MOTION.MD.THERMAL_REGION.DEFINE_REGION.DO_LANGEVIN' [myst.xref_missing] -writing output... [ 54%] methods/properties/infrared .. methods/properties/optical/tddft +writing output... [ 46%] methods/post_hartree_fock/low-scaling .. methods/properties/index /build/reproducible-path/cp2k-2025.1/docs/methods/sampling/metadynamics.md:8: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.MOTION.FREE_ENERGY.METADYN' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/sampling/metadynamics.md:73: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.MOTION.MD.REFTRAJ' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/sampling/metadynamics.md:131: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.MOTION.FREE_ENERGY.METADYN.PRINT.COLVAR' [myst.xref_missing] @@ -65168,7 +65203,7 @@ /build/reproducible-path/cp2k-2025.1/docs/methods/sampling/newton-x.md:73: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.PROPERTIES.TDDFPT.PRINT.NAMD_PRINT.PRINT_PHASES' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/sampling/newton-x.md:76: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.VIBRATIONAL_ANALYSIS.PRINT.NAMD_PRINT' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/sampling/newton-x.md:76: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.SUBSYS' [myst.xref_missing] -writing output... [ 62%] methods/properties/raman .. methods/properties/x-ray/delta-scf +writing output... [ 54%] methods/properties/infrared .. methods/properties/optical/tddft /build/reproducible-path/cp2k-2025.1/docs/methods/semiempiricals/xtb.md:3: WARNING: 'myst' cross-reference target not found: 'Grimme2017' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/semiempiricals/xtb.md:56: WARNING: 'myst' cross-reference target not found: 'Grimme2010' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/methods/semiempiricals/xtb.md:71: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.DFT.QS.XTB' [myst.xref_missing] @@ -65189,6 +65224,7 @@ /build/reproducible-path/cp2k-2025.1/docs/methods/semiempiricals/xtb.md:233: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.FORCE_EVAL.DFT.QS.XTB.NONBONDED.GENPOT.PARAMETERS' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/technologies/eigensolvers/dlaf.md:27: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.GLOBAL.PREFERRED_DIAG_LIBRARY' [myst.xref_missing] /build/reproducible-path/cp2k-2025.1/docs/technologies/eigensolvers/dlaf.md:38: WARNING: 'myst' cross-reference target not found: 'CP2K_INPUT.GLOBAL.DLAF_NEIGVEC_MIN' [myst.xref_missing] +writing output... [ 62%] methods/properties/raman .. methods/properties/x-ray/delta-scf writing output... [ 69%] methods/properties/x-ray/index .. methods/qm_mm/implicit_solvation writing output... [ 77%] methods/qm_mm/index .. methods/sampling/langevin_dynamics writing output... [ 85%] methods/sampling/metadynamics .. methods/semiempiricals/dftb @@ -65279,12 +65315,12 @@ -restrictdir SWARM/regtest-glbopt-1) ./do_regtest: line 619: ps: command not found *************************** testing started ****************************** - started on Sat Aug 23 00:19:23 -12 2025 + started on Sat Sep 26 09:10:58 +14 2026 configuration: Linux-aarch64-gfortran-psmp - regtesting location summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/summary.txt - regtesting location error_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/error_summary - regtesting location memory_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/memory_summary - regtesting location output dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23 + regtesting location summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/summary.txt + regtesting location error_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/error_summary + regtesting location memory_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/memory_summary + regtesting location output dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58 regtesting location last dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//LAST-Linux-aarch64-gfortran-psmp ---------------------------- Settings ------------------------------------ maxtasks = 2 @@ -65386,45 +65422,45 @@ ------------------------ regtesting cp2k --------------------------------- ------------------------- dynamic libraries linked ----------------------- ldd /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..///exe/Linux-aarch64-gfortran/cp2k.psmp : - linux-vdso.so.1 (0x0000ffff8484b000) - liblapack.so.3 => /lib/aarch64-linux-gnu/liblapack.so.3 (0x0000ffff815a0000) - libblas.so.3 => /lib/aarch64-linux-gnu/libblas.so.3 (0x0000ffff81520000) - libfftw3.so.3 => /lib/aarch64-linux-gnu/libfftw3.so.3 (0x0000ffff81440000) - libfftw3_threads.so.3 => /lib/aarch64-linux-gnu/libfftw3_threads.so.3 (0x0000ffff81410000) - libint2.so.2 => /lib/aarch64-linux-gnu/libint2.so.2 (0x0000ffff7fb80000) - libxc.so.9 => /lib/aarch64-linux-gnu/libxc.so.9 (0x0000ffff7f3d0000) - libxcf03.so.9 => /lib/aarch64-linux-gnu/libxcf03.so.9 (0x0000ffff7f3a0000) - libsymspg.so.2 => /lib/aarch64-linux-gnu/libsymspg.so.2 (0x0000ffff7f1d0000) - libmpi_mpifh.so.40 => /lib/aarch64-linux-gnu/libmpi_mpifh.so.40 (0x0000ffff7f140000) - libscalapack-openmpi.so.2.2 => /lib/aarch64-linux-gnu/libscalapack-openmpi.so.2.2 (0x0000ffff7ecb0000) - libelpa.so.19 => /lib/aarch64-linux-gnu/libelpa.so.19 (0x0000ffff7eb80000) - libgfortran.so.5 => /lib/aarch64-linux-gnu/libgfortran.so.5 (0x0000ffff7e9b0000) - libm.so.6 => /lib/aarch64-linux-gnu/libm.so.6 (0x0000ffff7e900000) - libmvec.so.1 => /lib/aarch64-linux-gnu/libmvec.so.1 (0x0000ffff7e8b0000) - libgomp.so.1 => /lib/aarch64-linux-gnu/libgomp.so.1 (0x0000ffff7e840000) - libgcc_s.so.1 => /lib/aarch64-linux-gnu/libgcc_s.so.1 (0x0000ffff7e800000) - libc.so.6 => /lib/aarch64-linux-gnu/libc.so.6 (0x0000ffff7e640000) - /lib/ld-linux-aarch64.so.1 (0x0000ffff84800000) - libstdc++.so.6 => /lib/aarch64-linux-gnu/libstdc++.so.6 (0x0000ffff7e3c0000) - libmpi.so.40 => /lib/aarch64-linux-gnu/libmpi.so.40 (0x0000ffff7e030000) - libopen-pal.so.80 => /lib/aarch64-linux-gnu/libopen-pal.so.80 (0x0000ffff7dec0000) - libfabric.so.1 => /lib/aarch64-linux-gnu/libfabric.so.1 (0x0000ffff7dd30000) - libucp.so.0 => /lib/aarch64-linux-gnu/libucp.so.0 (0x0000ffff7dbb0000) - libucs.so.0 => /lib/aarch64-linux-gnu/libucs.so.0 (0x0000ffff7db20000) - libevent_core-2.1.so.7 => /lib/aarch64-linux-gnu/libevent_core-2.1.so.7 (0x0000ffff7dac0000) - libevent_pthreads-2.1.so.7 => /lib/aarch64-linux-gnu/libevent_pthreads-2.1.so.7 (0x0000ffff7da90000) - libhwloc.so.15 => /lib/aarch64-linux-gnu/libhwloc.so.15 (0x0000ffff7da10000) - libpmix.so.2 => /lib/aarch64-linux-gnu/libpmix.so.2 (0x0000ffff7d7e0000) - libucm.so.0 => /lib/aarch64-linux-gnu/libucm.so.0 (0x0000ffff7d7a0000) - libuct.so.0 => /lib/aarch64-linux-gnu/libuct.so.0 (0x0000ffff7d730000) - libnl-3.so.200 => /lib/aarch64-linux-gnu/libnl-3.so.200 (0x0000ffff7d6e0000) - librdmacm.so.1 => /lib/aarch64-linux-gnu/librdmacm.so.1 (0x0000ffff7d6a0000) - libefa.so.1 => /lib/aarch64-linux-gnu/libefa.so.1 (0x0000ffff7d670000) - libibverbs.so.1 => /lib/aarch64-linux-gnu/libibverbs.so.1 (0x0000ffff7d630000) - libudev.so.1 => /lib/aarch64-linux-gnu/libudev.so.1 (0x0000ffff7d5d0000) - libmunge.so.2 => /lib/aarch64-linux-gnu/libmunge.so.2 (0x0000ffff7d5a0000) - libnl-route-3.so.200 => /lib/aarch64-linux-gnu/libnl-route-3.so.200 (0x0000ffff7d4f0000) - libcap.so.2 => /lib/aarch64-linux-gnu/libcap.so.2 (0x0000ffff7d4c0000) + linux-vdso.so.1 (0x0000ffff8ccdd000) + liblapack.so.3 => /lib/aarch64-linux-gnu/liblapack.so.3 (0x0000ffff89a30000) + libblas.so.3 => /lib/aarch64-linux-gnu/libblas.so.3 (0x0000ffff899b0000) + libfftw3.so.3 => /lib/aarch64-linux-gnu/libfftw3.so.3 (0x0000ffff898d0000) + libfftw3_threads.so.3 => /lib/aarch64-linux-gnu/libfftw3_threads.so.3 (0x0000ffff898a0000) + libint2.so.2 => /lib/aarch64-linux-gnu/libint2.so.2 (0x0000ffff88010000) + libxc.so.9 => /lib/aarch64-linux-gnu/libxc.so.9 (0x0000ffff87860000) + libxcf03.so.9 => /lib/aarch64-linux-gnu/libxcf03.so.9 (0x0000ffff87830000) + libsymspg.so.2 => /lib/aarch64-linux-gnu/libsymspg.so.2 (0x0000ffff87660000) + libmpi_mpifh.so.40 => /lib/aarch64-linux-gnu/libmpi_mpifh.so.40 (0x0000ffff875d0000) + libscalapack-openmpi.so.2.2 => /lib/aarch64-linux-gnu/libscalapack-openmpi.so.2.2 (0x0000ffff87140000) + libelpa.so.19 => /lib/aarch64-linux-gnu/libelpa.so.19 (0x0000ffff87010000) + libgfortran.so.5 => /lib/aarch64-linux-gnu/libgfortran.so.5 (0x0000ffff86e40000) + libm.so.6 => /lib/aarch64-linux-gnu/libm.so.6 (0x0000ffff86d90000) + libmvec.so.1 => /lib/aarch64-linux-gnu/libmvec.so.1 (0x0000ffff86d40000) + libgomp.so.1 => /lib/aarch64-linux-gnu/libgomp.so.1 (0x0000ffff86cd0000) + libgcc_s.so.1 => /lib/aarch64-linux-gnu/libgcc_s.so.1 (0x0000ffff86c90000) + libc.so.6 => /lib/aarch64-linux-gnu/libc.so.6 (0x0000ffff86ad0000) + /lib/ld-linux-aarch64.so.1 (0x0000ffff8cc90000) + libstdc++.so.6 => /lib/aarch64-linux-gnu/libstdc++.so.6 (0x0000ffff86850000) + libmpi.so.40 => /lib/aarch64-linux-gnu/libmpi.so.40 (0x0000ffff864c0000) + libopen-pal.so.80 => /lib/aarch64-linux-gnu/libopen-pal.so.80 (0x0000ffff86350000) + libfabric.so.1 => /lib/aarch64-linux-gnu/libfabric.so.1 (0x0000ffff861c0000) + libucp.so.0 => /lib/aarch64-linux-gnu/libucp.so.0 (0x0000ffff86040000) + libucs.so.0 => /lib/aarch64-linux-gnu/libucs.so.0 (0x0000ffff85fb0000) + libevent_core-2.1.so.7 => /lib/aarch64-linux-gnu/libevent_core-2.1.so.7 (0x0000ffff85f50000) + libevent_pthreads-2.1.so.7 => /lib/aarch64-linux-gnu/libevent_pthreads-2.1.so.7 (0x0000ffff85f20000) + libhwloc.so.15 => /lib/aarch64-linux-gnu/libhwloc.so.15 (0x0000ffff85ea0000) + libpmix.so.2 => /lib/aarch64-linux-gnu/libpmix.so.2 (0x0000ffff85c70000) + libucm.so.0 => /lib/aarch64-linux-gnu/libucm.so.0 (0x0000ffff85c30000) + libuct.so.0 => /lib/aarch64-linux-gnu/libuct.so.0 (0x0000ffff85bc0000) + libnl-3.so.200 => /lib/aarch64-linux-gnu/libnl-3.so.200 (0x0000ffff85b70000) + librdmacm.so.1 => /lib/aarch64-linux-gnu/librdmacm.so.1 (0x0000ffff85b30000) + libefa.so.1 => /lib/aarch64-linux-gnu/libefa.so.1 (0x0000ffff85b00000) + libibverbs.so.1 => /lib/aarch64-linux-gnu/libibverbs.so.1 (0x0000ffff85ac0000) + libudev.so.1 => /lib/aarch64-linux-gnu/libudev.so.1 (0x0000ffff85a60000) + libmunge.so.2 => /lib/aarch64-linux-gnu/libmunge.so.2 (0x0000ffff85a30000) + libnl-route-3.so.200 => /lib/aarch64-linux-gnu/libnl-route-3.so.200 (0x0000ffff85980000) + libcap.so.2 => /lib/aarch64-linux-gnu/libcap.so.2 (0x0000ffff85950000) -------------------------------------------------------------------------- Copying tests into working directory ... done! CP2K supports: cp2kflags: omp libint fftw3 libxc elpa parallel scalapack spglib @@ -65464,557 +65500,557 @@ Skipping Fist/regtest-quip : missing required feature : quip Skipping QS/regtest-eht-guess : missing required feature : libdftd4 Skipping QS/regtest-trexio : missing required feature : trexio -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-tddfpt-force-2 (1 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-tddfpt-force-2 - h2o_f11.inp -17.08499356137060 OK ( 36.84 sec) - h2o_f12.inp -17.23314438613118 OK ( 5.32 sec) - h2o_f13.inp -17.21133582266415 OK ( 8.60 sec) - h2o_f14.inp -17.07269324353872 OK ( 10.50 sec) - h2o_f15.inp -17.18915026270087 OK ( 3.16 sec) - h2o_f16.inp -17.18920549417607 OK ( 4.35 sec) - h2o_f17.inp -17.20475909001782 OK ( 5.02 sec) - h2o_f18.inp -16.70951393575132 OK ( 5.10 sec) - h2o_f19.inp -17.21016952558522 OK ( 8.20 sec) - h2o_f20.inp -17.18911876899811 OK ( 3.97 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-tddfpt-force-2 (1 of 47) done in 96.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/LIBTEST (2 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/LIBTEST - test_01.inp - OK ( 2.15 sec) - test_02.inp - OK ( 0.53 sec) - test_pw.inp - OK ( 0.07 sec) +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-tddfpt-force-2 (1 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-tddfpt-force-2 + h2o_f11.inp -17.08499356136138 OK ( 8.07 sec) + h2o_f12.inp -17.23314438613220 OK ( 5.33 sec) + h2o_f13.inp -17.21133582302230 OK ( 8.71 sec) + h2o_f14.inp -17.07269324354370 OK ( 11.30 sec) + h2o_f15.inp -17.18915026270088 OK ( 3.31 sec) + h2o_f16.inp -17.18920549418514 OK ( 4.52 sec) + h2o_f17.inp -17.20475909001537 OK ( 16.77 sec) + h2o_f18.inp -16.70951393575145 OK ( 12.46 sec) + h2o_f19.inp -17.21016952558166 OK ( 8.69 sec) + h2o_f20.inp -17.18911876899809 OK ( 4.08 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-tddfpt-force-2 (1 of 47) done in 88.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/LIBTEST (2 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/LIBTEST + test_01.inp - OK ( 2.17 sec) + test_02.inp - OK ( 0.55 sec) + test_pw.inp - OK ( 0.13 sec) test_pw_02.inp - OK ( 0.00 sec) test_pw_03.inp - OK ( 0.00 sec) test_pw_04.inp - OK ( 0.32 sec) test_pw_05.inp - OK ( 0.01 sec) - test_cp_fm_gemm_01.inp - OK ( 0.66 sec) - test_cp_fm_gemm_02.inp - OK ( 0.60 sec) + test_cp_fm_gemm_01.inp - OK ( 0.67 sec) + test_cp_fm_gemm_02.inp - OK ( 0.59 sec) eig.inp - OK ( 0.01 sec) - dbcsr_mm_blas.inp - OK ( 0.03 sec) - dbcsr_multistack.inp - OK ( 0.08 sec) + dbcsr_mm_blas.inp - OK ( 0.06 sec) + dbcsr_multistack.inp - OK ( 0.13 sec) dbcsr_types.inp - OK ( 0.10 sec) dbcsr_blocks_01.inp 20978908949.261906 OK ( 0.62 sec) - dbcsr_blocks_02.inp 21229174127.238159 OK ( 0.60 sec) + dbcsr_blocks_02.inp 21229174127.238159 OK ( 0.56 sec) dbcsr_blocks_03.inp 21561533688.640675 OK ( 0.58 sec) dbcsr_blocks_04.inp 21304439095.777740 OK ( 0.56 sec) - dbcsr_blocks_05.inp 21455488291.450737 OK ( 0.57 sec) + dbcsr_blocks_05.inp 21455488291.450737 OK ( 0.51 sec) dbcsr_blocks_06.inp 165599.60719889530 OK ( 0.01 sec) dbcsr_types_01.inp 215164151.09111804 OK ( 0.12 sec) - dbcsr_types_02.inp 215164151.09111804 OK ( 0.12 sec) - dbcsr_types_03.inp 215164151.09111804 OK ( 0.07 sec) + dbcsr_types_02.inp 215164151.09111804 OK ( 0.10 sec) + dbcsr_types_03.inp 215164151.09111804 OK ( 0.12 sec) dbcsr_types_04.inp 215164151.09111804 OK ( 0.07 sec) - dbcsr_types_05.inp 215164151.09111804 OK ( 0.06 sec) + dbcsr_types_05.inp 215164151.09111804 OK ( 0.09 sec) dbcsr_io_1.inp - OK ( 0.03 sec) - dbcsr_order_N.inp 1910924.8949438259 OK ( 1.66 sec) - dbm_blocks_01.inp 20978908949.261597 OK ( 0.43 sec) - dbm_blocks_02.inp 21229174127.238667 OK ( 0.46 sec) - dbm_blocks_03.inp 21561533688.640690 OK ( 0.38 sec) - dbm_blocks_04.inp 21304439095.777515 OK ( 0.42 sec) + dbcsr_order_N.inp 1910924.8949438259 OK ( 1.79 sec) + dbm_blocks_01.inp 20978908949.261597 OK ( 0.47 sec) + dbm_blocks_02.inp 21229174127.238667 OK ( 0.48 sec) + dbm_blocks_03.inp 21561533688.640690 OK ( 0.43 sec) + dbm_blocks_04.inp 21304439095.777515 OK ( 0.43 sec) dbm_blocks_05.inp 21455488291.450775 OK ( 0.38 sec) dbm_blocks_06.inp 165599.60719889478 OK ( 0.01 sec) - dbm_order_N.inp 1910924.8949438122 OK ( 0.56 sec) - test_eri_mme_accuracy.inp - OK ( 0.65 sec) - test_eri_mme_accuracy_longrange.inp - OK ( 0.59 sec) - test_eri_mme_accuracy_yukawa.inp - OK ( 0.61 sec) - test_eri_mme_performance.inp - OK ( 0.96 sec) - test_minimax.inp - OK ( 0.18 sec) - test_shg_integrals_01.inp - OK ( 1.09 sec) - test_shg_integrals_02.inp - OK ( 0.42 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/LIBTEST (2 of 47) done in 31.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-libxc (3 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-libxc - H2O-hybrid-b3lyp_libxc_uks.inp -76.41035426581173 OK ( 1.92 sec) - H2O_pbe_libxc_tddfpt-s.inp -17.23116251470401 OK ( 2.32 sec) - H2O_lda_libxc_tddfpt-s.inp -17.13289833455456 OK ( 4.09 sec) - H2O_pbe_libxc_tddfpt-t_uks.inp -17.23116251474713 OK ( 14.43 sec) - H2O-hybrid-b3lyp_libxc.inp -76.41035426581173 OK ( 1.40 sec) - H2O-hybrid-wb97mv-libxc.inp -76.39611446074744 OK ( 4.46 sec) - H2O-hybrid-cam-lda0.inp -76.47215215214999 OK ( 1.28 sec) - H2O_lda_libxc_tddfpt-t_uks.inp -17.13289833455846 OK ( 3.54 sec) - H2O-tpssx_libxc.inp -33.88300963208589 OK ( 1.26 sec) - diamond_br89_libxc_uks.inp -11.06630465114325 OK ( 7.26 sec) - diamond_br89_libxc.inp -11.06581270880656 OK ( 5.28 sec) - H2O-tpss_lsd.inp -34.34060245665995 OK ( 3.73 sec) - H2O-hybrid-wb97x2lp-libxc.inp -16.89949406010554 OK ( 2.78 sec) - H2O-hybrid-wb97x2tqz-libxc.inp -16.91942415693938 OK ( 2.57 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-libxc (3 of 47) done in 62.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-hfx-periodic (4 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-hfx-periodic - H2O-trunc-2.inp -75.99943504501115 OK ( 1.20 sec) - H2O-trunc-auto.inp -75.99943504501114 OK ( 1.22 sec) - H2O-coul-0.inp -76.02314790926964 OK ( 0.90 sec) - H2O-trunc-auto-md.inp -0.752385976693E+02 OK ( 2.35 sec) - CH3-trunc-auto.inp -39.13005530524272 OK ( 1.64 sec) - CH3-trunc-1.inp -39.36116309708301 OK ( 1.97 sec) - CH3-trunc-auto-md.inp -0.387264301983E+02 OK ( 3.62 sec) - CH3-coul-0.inp -39.39910229689158 OK ( 1.73 sec) - h2o-respa.inp -76.02310918722918 OK ( 8.43 sec) - h2o-respa_restart.inp -76.02267217094325 OK ( 5.89 sec) - H2O-id-auto.inp -88.00800458675097 OK ( 0.89 sec) - graphene_periodic_XY.inp -77.25992466324719 OK ( 1.18 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-hfx-periodic (4 of 47) done in 37.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/ATOM/regtest-2 (5 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/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 ( 0.04 sec) - F_3.inp -24.171954774816 OK ( 0.04 sec) - F_4.inp -23.517790822114 OK ( 0.03 sec) - F_5.inp -23.437623684262 OK ( 0.03 sec) - U.inp -25598.253318868767 OK ( 1.74 sec) - Ru.inp -15.9518066199 OK ( 1.01 sec) - Ru_basis.inp -15.951806619855 OK ( 0.03 sec) - Ru_conf.inp -15.9897774741 OK ( 1.79 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 ( 0.02 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 ( 0.01 sec) - atom_c4.inp -0.038182392054 OK ( 0.01 sec) + dbm_order_N.inp 1910924.8949438115 OK ( 0.49 sec) + test_eri_mme_accuracy.inp - OK ( 0.59 sec) + test_eri_mme_accuracy_longrange.inp - OK ( 1.02 sec) + test_eri_mme_accuracy_yukawa.inp - OK ( 1.40 sec) + test_eri_mme_performance.inp - OK ( 2.16 sec) + test_minimax.inp - OK ( 0.41 sec) + test_shg_integrals_01.inp - OK ( 2.60 sec) + test_shg_integrals_02.inp - OK ( 1.09 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/LIBTEST (2 of 47) done in 38.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-libxc (3 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-libxc + H2O-hybrid-b3lyp_libxc_uks.inp -76.41035426581175 OK ( 5.02 sec) + H2O_pbe_libxc_tddfpt-s.inp -17.23116251470402 OK ( 12.59 sec) + H2O_lda_libxc_tddfpt-s.inp -17.13289833455456 OK ( 5.09 sec) + H2O_pbe_libxc_tddfpt-t_uks.inp -17.23116251474713 OK ( 22.25 sec) + H2O-hybrid-b3lyp_libxc.inp -76.41035426581175 OK ( 3.38 sec) + H2O-hybrid-wb97mv-libxc.inp -76.39611446074744 OK ( 12.19 sec) + H2O-hybrid-cam-lda0.inp -76.47215215214997 OK ( 2.73 sec) + H2O_lda_libxc_tddfpt-t_uks.inp -17.13289833455846 OK ( 13.37 sec) + H2O-tpssx_libxc.inp -33.88300963208588 OK ( 4.65 sec) + diamond_br89_libxc_uks.inp -11.06630465114327 OK ( 15.20 sec) + diamond_br89_libxc.inp -11.06581270880655 OK ( 11.16 sec) + H2O-tpss_lsd.inp -34.34060245665994 OK ( 12.81 sec) + H2O-hybrid-wb97x2lp-libxc.inp -16.89949406010554 OK ( 14.77 sec) + H2O-hybrid-wb97x2tqz-libxc.inp -16.91942415693938 OK ( 13.19 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-libxc (3 of 47) done in 159.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-hfx-periodic (4 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-hfx-periodic + H2O-trunc-2.inp -75.99943504501111 OK ( 4.32 sec) + H2O-trunc-auto.inp -75.99943504501113 OK ( 4.07 sec) + H2O-coul-0.inp -76.02314790926960 OK ( 4.08 sec) + H2O-trunc-auto-md.inp -0.752385976693E+02 OK ( 9.91 sec) + CH3-trunc-auto.inp -39.13005530524273 OK ( 7.50 sec) + CH3-trunc-1.inp -39.36116309708300 OK ( 7.01 sec) + CH3-trunc-auto-md.inp -0.387264301983E+02 OK ( 11.72 sec) + CH3-coul-0.inp -39.39910229689158 OK ( 6.65 sec) + h2o-respa.inp -76.02310918722914 OK ( 29.20 sec) + h2o-respa_restart.inp -76.02267217094327 OK ( 23.48 sec) + H2O-id-auto.inp -88.00800458675097 OK ( 2.96 sec) + graphene_periodic_XY.inp -77.25992466324719 OK ( 3.90 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-hfx-periodic (4 of 47) done in 124.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/ATOM/regtest-2 (5 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/ATOM/regtest-2 + H.inp -0.499999999830 OK ( 0.22 sec) + He_1.inp -1.399307796698 OK ( 0.03 sec) + He_2.inp -1.336212351224 OK ( 0.04 sec) + He_3.inp -1.416270865184 OK ( 0.02 sec) + He_5.inp -1.408879880907 OK ( 0.05 sec) + F_1.inp -24.171954774816 OK ( 0.23 sec) + F_2.inp -24.171954774816 OK ( 0.32 sec) + F_3.inp -24.171954774816 OK ( 0.47 sec) + F_4.inp -23.517790822114 OK ( 0.16 sec) + F_5.inp -23.437623684262 OK ( 0.11 sec) + U.inp -25598.253318868767 OK ( 3.02 sec) + Ru.inp -15.9518066199 OK ( 3.89 sec) + Ru_basis.inp -15.951806619855 OK ( 0.07 sec) + Ru_conf.inp -15.9897774741 OK ( 5.44 sec) + atom_1.inp -0.462506882641 OK ( 0.06 sec) + atom_2.inp -0.356859139125 OK ( 0.05 sec) + atom_3.inp -0.462506882641 OK ( 0.07 sec) + atom_4.inp -0.146531730136 OK ( 0.05 sec) + atom_5.inp -0.462506882641 OK ( 0.03 sec) + atom_c1.inp -0.460470116001 OK ( 0.05 sec) + atom_c2.inp -0.348633649362 OK ( 0.05 sec) + atom_c3.inp -0.460470116001 OK ( 0.03 sec) + atom_c4.inp -0.038182392054 OK ( 0.02 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 ( 0.17 sec) + slater_0.inp -2.847630187388 OK ( 0.02 sec) + slater_1.inp -526.292493965898 OK ( 0.06 sec) + slater_2.inp -24.243036046111 OK ( 0.36 sec) slater_3.inp -2.838751324071 OK ( 0.01 sec) - slater_4.inp 8.063992740899 OK ( 0.02 sec) - slater_5.inp 109583.1142108135 OK ( 0.03 sec) - slater_6.inp 3762956.0619032099 OK ( 0.07 sec) - slater_7.inp -2.8616551305 OK ( 0.38 sec) - slater_8.inp -0.1875976021 OK ( 0.02 sec) - slater_9.inp -525.7615443522 OK ( 0.07 sec) - slater_10.inp -2.841058209720 OK ( 0.01 sec) - Hg.inp -19601.624766751105 OK ( 1.06 sec) - C.inp -37.799871796427 OK ( 0.09 sec) - C_ADMM.inp -37.758721798836 OK ( 0.12 sec) - C_tpss.inp -37.801438870459 OK ( 0.13 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/ATOM/regtest-2 (5 of 47) done in 22.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-ri-rpa (6 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-ri-rpa - RI_RPA_H2O.inp -17.145691221376193 OK ( 3.97 sec) - RI_RPA_H2O_overlap_metric.inp -17.145538849244364 OK ( 3.97 sec) - RI_RPA_CH3.inp -7.415612316029160 OK ( 5.71 sec) - RI_RPA_H2O_SYRK.inp -17.145691221376183 OK ( 4.45 sec) - RI_RPA_minimax_H_atom.inp -0.510122901484697 OK ( 1.70 sec) - RI_RPA_H2O_minimax.inp -17.145691263471388 OK ( 4.55 sec) - RI_RPA_H2O_PBE0.inp -17.122863632433713 OK ( 4.42 sec) - RI_RPA_H2O_PBE0_ADMM1.inp -17.125217824055660 OK ( 6.34 sec) - RI_RPA_H2O_Obara_Saika.inp -17.160204463745458 OK ( 1.76 sec) - RI_RPA_H2O_svd.inp -17.145691221376175 OK ( 4.53 sec) - RI_RPA_H2O_overlap_metric_svd.inp -17.145530117968594 OK ( 3.54 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-ri-rpa (6 of 47) done in 49.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/MC/regtest (7 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/MC/regtest - MC_QS.inp -51.34794469 OK ( 1.29 sec) - MC_QS_restart.inp -51.34909000 OK ( 1.38 sec) - GEMC_NpT_box1.inp 0.49826574 OK ( 0.67 sec) - GEMC_NVT_box1.inp 0.49803069 OK ( 0.68 sec) - GEMC_swap_box1.inp 0.55872200 OK ( 1.86 sec) - canonical.inp 0.55333815 OK ( 0.29 sec) - canonical_bias.inp 0.38566238 OK ( 0.24 sec) - virial.inp -.723498E+03 OK ( 0.28 sec) - hmc.inp -2.49775342 OK ( 11.33 sec) - MC_QS_cluster.inp -123.50714373283505 OK ( 15.08 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/MC/regtest (7 of 47) done in 37.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-lvlshift (8 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-lvlshift - c2h2-gpw-inverse.inp -12.47387109223698 OK ( 3.92 sec) - c2h2-gpw-inverse.inp 0.261219 OK ( 3.97 sec) - c2h2-gpw-off.inp -12.47387109223698 OK ( 3.96 sec) - c2h2-gpw-off.inp 0.261219 OK ( 3.92 sec) - c2h2-gpw-reduce.inp -12.47387109223698 OK ( 4.10 sec) - c2h2-gpw-reduce.inp 0.261219 OK ( 3.99 sec) - c2h2-gpw-restore.inp -12.47387109223698 OK ( 3.96 sec) - c2h2-gpw-restore.inp 0.261219 OK ( 4.21 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-lvlshift (8 of 47) done in 36.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/DFTB/regtest-nonscc (9 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/DFTB/regtest-nonscc - ch2o-1.inp -5.82072731467941 OK ( 0.03 sec) - ch2o-2.inp -5.82159061359820 OK ( 0.48 sec) - ch2o-3.inp -5.81373413468793 OK ( 0.08 sec) - ch2o-r.inp -5.81373413468793 OK ( 0.47 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 ( 0.01 sec) - h2-4.inp -0.71042952969308 OK ( 0.06 sec) - h2o-32_1.inp -131.08636939008773 OK ( 0.39 sec) - h2o-32_2.inp -131.07999691054357 OK ( 0.39 sec) - h2o-32_3.inp -131.07520911566402 OK ( 0.26 sec) - h2o-32_4.inp -131.07520911521175 OK ( 2.16 sec) - MoS.inp -2.99616182900092 OK ( 0.14 sec) - n2.inp -4.86560729574766 OK ( 0.03 sec) - s2.inp -4.83731808711857 OK ( 0.05 sec) - ch2o_atprop.inp -5.81281420275335 OK ( 0.03 sec) - MoS_atprop.inp -2.99616182900092 OK ( 0.15 sec) - h2o-32_atprop.inp -131.08636939008773 OK ( 0.77 sec) - co2_1.inp -8.55586246566686 OK ( 0.08 sec) - co2_2.inp -8.55586246566686 OK ( 0.20 sec) - co2_3.inp -8.55586246566686 OK ( 0.10 sec) - si_kp1.inp -10.06358203475393 OK ( 0.29 sec) - si_kp2.inp - OK ( 2.99 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/DFTB/regtest-nonscc (9 of 47) done in 18.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-tddfpt (10 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-tddfpt - H2O_tddfpt-s-1.inp 0.600232E+00 OK ( 0.48 sec) - H2O_tddfpt-t-1.inp 0.289055E+00 OK ( 0.36 sec) - NO_tddfpt-s-1.inp 0.319837E+00 OK ( 3.03 sec) - NO_tddfpt-t-1.inp 0.324319E+00 OK ( 3.24 sec) - H2O_tddfpt-s-2.inp 0.543390E+00 OK ( 0.47 sec) - H2O_tddfpt-t-2.inp 0.548605E+00 OK ( 0.57 sec) - NO_tddfpt-t-2.inp 0.340342E+00 OK ( 3.37 sec) - H2O_tddfpt-s-3.inp 0.543390E+00 OK ( 0.44 sec) - H2O_tddfpt-t-3.inp 0.579030E+00 OK ( 0.59 sec) - NO_tddfpt-s-3.inp 0.326331E+00 OK ( 2.10 sec) - NO_tddfpt-t-3.inp 0.340342E+00 OK ( 3.39 sec) - H2O_tddfpt_NTO.inp 0.542432E+00 OK ( 0.92 sec) - H2O_tddfpt_NTO_slist.inp 0.542432E+00 OK ( 0.86 sec) - H2O_tddfpt_NTO_restart.inp 0.542432E+00 OK ( 0.69 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-tddfpt (10 of 47) done in 27.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-tddfpt-lri (11 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-tddfpt-lri - h2o_lri01_only_es.inp 0.941247E+00 OK ( 6.89 sec) - h2o_lri02_es_and_gs.inp 0.942149E+00 OK ( 8.37 sec) - h2o_hfxlr.inp 0.216753E+00 OK ( 3.95 sec) - h2o_t01.inp 0.247964E+00 OK ( 2.36 sec) - h2o_t02.inp 0.236972E+00 OK ( 2.36 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-tddfpt-lri (11 of 47) done in 27.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/DFTB/regtest (12 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/DFTB/regtest - wdim_scc.inp -4.071762227106624 OK ( 0.04 sec) - wdim_nonscc.inp -4.103196491657346 OK ( 0.04 sec) - wdimmc_scc.inp -4.073207386660246 OK ( 0.05 sec) - wdimmc_nonscc.inp -4.104297786205958 OK ( 0.04 sec) - epc_1.inp -4.071784048619485 OK ( 0.06 sec) - epc_2.inp -4.071742011375122 OK ( 0.04 sec) - epc_3.inp -4.103221098162718 OK ( 0.06 sec) - epc_4.inp -4.071792193944628 OK ( 0.07 sec) - fdeb_1.inp - OK ( 0.80 sec) - fdeb_2.inp - OK ( 1.16 sec) - fdeb_3.inp - OK ( 0.25 sec) - fdeb_4.inp - OK ( 1.64 sec) - fdeb_5.inp - OK ( 0.59 sec) - fdeb_6.inp - OK ( 2.10 sec) - fdeb_7.inp - OK ( 2.85 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/DFTB/regtest (12 of 47) done in 16.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-ri-mp2 (13 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-ri-mp2 - RI_MP2_H2O.inp -17.182557666877447 OK ( 6.36 sec) - RI_MP2_H2O_MME.inp -17.054236987683790 OK ( 1.27 sec) - RI_MP2_H2O_NONORTHO_MME.inp -17.056851399834581 OK ( 4.37 sec) - RI_MP2_CH3.inp -7.284101370683136 OK ( 5.80 sec) - RI_MP2_CH3_single_group.inp -7.284101370683135 OK ( 2.63 sec) - RI_MP2_CH3_auto.inp -7.283986189880403 OK ( 3.53 sec) - RI_MP2_H2O_svd.inp -17.049485626822584 OK ( 2.00 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-ri-mp2 (13 of 47) done in 29.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-hirshfeld (14 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-hirshfeld - htest_1.inp -17.14603641519600 OK ( 0.25 sec) - htest_2.inp -17.14603641519601 OK ( 0.23 sec) - htest_3.inp -17.14603641519601 OK ( 0.28 sec) - htest_4.inp -17.14603641519601 OK ( 0.25 sec) - htest_5.inp -17.14603641519601 OK ( 0.25 sec) - htest_6.inp -17.14603641519601 OK ( 0.29 sec) - htest_7.inp -17.13771713041178 OK ( 0.29 sec) - htest_8.inp -17.13771713041178 OK ( 0.29 sec) - htest_9.inp -17.13771713041177 OK ( 0.34 sec) - hlsd_1.inp -16.81101156813313 OK ( 0.40 sec) - hlsd_2.inp -16.81101156813314 OK ( 0.40 sec) - hlsd_3.inp -16.81101156813314 OK ( 0.40 sec) - hlsd_4.inp -16.81101156813313 OK ( 0.40 sec) - hlsd_5.inp -16.81101156813313 OK ( 0.41 sec) - hlsd_6.inp -16.80070757658134 OK ( 0.48 sec) - hlsd_7.inp -16.80070757658134 OK ( 0.38 sec) - hlsd_8.inp -16.80070757658134 OK ( 0.52 sec) - hlsd_9.inp -16.80070757658135 OK ( 0.57 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-hirshfeld (14 of 47) done in 14.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-gpw-2-1 (15 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-gpw-2-1 - H2-vib.inp 3855.524137 OK ( 2.96 sec) - H2-vib_tc.inp -5.75148845 OK ( 2.96 sec) - N2_raman.inp 2662.743559 OK ( 7.80 sec) - H2O-2.inp -17.14619644944913 OK ( 0.45 sec) - H2O-3.inp -17.14553123442894 OK ( 0.53 sec) - H2O-4.inp -17.14677584577025 OK ( 0.50 sec) - ZrO.inp -62.20561057734394 OK ( 0.34 sec) - Ar-12.inp -21.04251999575907 OK ( 0.46 sec) - Ar-13.inp -21.12624107439710 OK ( 0.44 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-gpw-2-1 (15 of 47) done in 21.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/QS/regtest-2-erf (16 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/QS/regtest-2-erf - H2O-qmmm-gauss-14-geep-2.inp -12.90417644796692 OK ( 0.16 sec) - H2O-qmmm-gauss-14-geep-3.inp -12.90712061196072 OK ( 0.17 sec) - H2O-qmmm-gauss-14-geep-4.inp -12.90733560862244 OK ( 0.18 sec) - H2O-qmmm-gauss-14-geep-5.inp -12.92642686633917 OK ( 0.12 sec) - H2O-qmmm-gauss-14-geep-6.inp -12.92230602230404 OK ( 0.16 sec) - H2O-qmmm-gauss-14-geep-7.inp -12.91849696653664 OK ( 0.12 sec) - H2O-qmmm-gauss-14-geep-8.inp -12.91621682584685 OK ( 0.19 sec) - H2O-qmmm-gauss-14-geep-9.inp -12.91437166178600 OK ( 0.17 sec) - H2O-qmmm-gauss-14-geep-10.inp -12.91328069126082 OK ( 0.14 sec) - H2O-qmmm-gauss-14-geep-11.inp -12.91297474165068 OK ( 0.18 sec) - H2O-qmmm-gauss-14-geep-12.inp -12.91332340555361 OK ( 0.19 sec) - H2O-qmmm-gauss-14-geep-13.inp -12.91325023093565 OK ( 0.21 sec) - H2O-qmmm-gauss-14-geep-14.inp -12.91299456139048 OK ( 0.28 sec) - H2O-qmmm-gauss-14-geep-15.inp -12.91325018773841 OK ( 0.98 sec) - H2O-qmmm-gauss-14-geep-16.inp -12.91325925146547 OK ( 0.93 sec) - H2O-qmmm-gauss-14-geep-17.inp -12.91336718382167 OK ( 0.97 sec) - H2O-qmmm-gauss-14-geep-18.inp -12.91336753631511 OK ( 1.30 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/QS/regtest-2-erf (16 of 47) done in 13.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-dm-ls-scf-4 (17 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-dm-ls-scf-4 - H2O-dft-ls-DEFAULTS.inp -17.031737705912363 OK ( 0.35 sec) - H2O-dft-ls-NEWTONSCHULZ.inp -17.031737705912363 OK ( 0.43 sec) - H2O-dft-ls-PROOT3.inp -17.031737715859997 OK ( 0.51 sec) - H2O-dft-ls-PROOT4.inp -17.031737702677937 OK ( 0.37 sec) - H2O-dft-ls-PROOT5.inp -17.031737600352223 OK ( 0.39 sec) - H2O-dft-ls-NEWTONSCHULZ3.inp -17.031737706156235 OK ( 0.42 sec) - H2O-dft-ls-NEWTONSCHULZ4.inp -17.031737706156239 OK ( 0.41 sec) - H2O-dft-ls-NEWTONSCHULZ5.inp -17.031737706156235 OK ( 0.50 sec) - H2O-dft-ls-NEWTONSCHULZ6.inp -17.031737706156164 OK ( 0.44 sec) - H2O-dft-ls-NEWTONSCHULZ7.inp -17.031737706162680 OK ( 0.42 sec) - H2O-dft-ls-NEWTONSCHULZ-SYMMETRIC.inp -17.031737705912363 OK ( 0.41 sec) - H2O-dft-ls-SUBMATRIX-NS.inp -17.031737705912363 OK ( 0.41 sec) - H2O-dft-ls-SUBMATRIX-NS3.inp -17.031737706156235 OK ( 0.47 sec) - H2O-dft-ls-SUBMATRIX-DIRECT.inp -17.031737706156239 OK ( 0.39 sec) - H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ.inp -17.031737706156235 OK ( 0.36 sec) - H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ-LOWMEM.inp -17.031737706156235 OK ( 0.41 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-dm-ls-scf-4 (17 of 47) done in 14.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-ps-implicit-2-3 (18 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-ps-implicit-2-3 - H2O_mixed_periodic_cuboidal.inp -17.23631232134669 OK ( 13.45 sec) - H2O_mixed_periodic_cylindrical.inp -17.32193400041628 OK ( 6.37 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-ps-implicit-2-3 (18 of 47) done in 21.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-polar (19 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-polar - h2o_LRraman.inp 0.006179870499 OK ( 0.31 sec) - h2o_LRraman_loc.inp 0.009267643345 OK ( 5.22 sec) - h2o_LRraman_noort.inp 0.020215112241 OK ( 0.78 sec) - H2O_md_polar.inp 0.619470373245 OK ( 7.88 sec) - xTB_LRraman.inp 0.807352993847 OK ( 0.09 sec) - xTB_LRraman_loc.inp 0.807352993847 OK ( 0.09 sec) - h2o_LRraman_LRI.inp 0.004283571065 OK ( 1.92 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-polar (19 of 47) done in 20.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-hfx-stress (20 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-hfx-stress - ch3-admm.inp -7.17220679449E+04 OK ( 5.00 sec) - ch3.inp 2.83902802441E+05 OK ( 5.79 sec) - ch4-admm.inp -7.10694585675E+04 OK ( 19.64 sec) - h2o.inp 1.26297506340E+05 OK ( 3.84 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-hfx-stress (20 of 47) done in 37.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/QS/regtest-gapw (21 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/QS/regtest-gapw - C11H24-qmmmgapwall-gauss-0.inp -156.88271046728121 OK ( 3.49 sec) - C11H24-qmmmgapw-gauss-0.inp -28.0421973525 OK ( 5.96 sec) - H2O-qmmm-gapw-fdbg.inp -15.85173442489608 OK ( 26.19 sec) - H2O-qmmm-hfx.inp -0.176043379384E+02 OK ( 3.22 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/QS/regtest-gapw (21 of 47) done in 42.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/SE/regtest_2 (22 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/SE/regtest_2 - nh3_g4x6_excl_mm.inp -0.913069017786E+01 OK ( 0.36 sec) - nh3_g4x6_excl_qm.inp -0.913127863162E+01 OK ( 0.40 sec) - water_colv_excl_mm.inp -0.128071776255E+02 OK ( 1.27 sec) - water_colv_excl_qm.inp -0.128078086386E+02 OK ( 1.31 sec) - water_fixd_excl_mm.inp -0.128094856912E+02 OK ( 1.12 sec) - water_fixd_excl_qm.inp -0.128087667071E+02 OK ( 2.53 sec) - water_g3x3_excl_mm.inp -0.128057061878E+02 OK ( 0.94 sec) - water_g3x3_excl_qm.inp -0.128090813557E+02 OK ( 1.12 sec) - Si_tersoff_qmmm.inp -3418.06809308942047 OK ( 6.69 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/SE/regtest_2 (22 of 47) done in 20.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/Fist/regtest-11 (23 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/Fist/regtest-11 - H2O-32_NVT_CSVR_gen1.inp -0.609208076083E+00 OK ( 0.54 sec) - H2O-32_NVT_CSVR_gen2.inp -0.532133592588E+00 OK ( 0.17 sec) - H2O-32_NVT_CSVR_gen3.inp -0.500113893497E+00 OK ( 0.17 sec) - H2O-32_NVT_NOSE_gen_noCNS0.inp -0.492823650978E+00 OK ( 0.14 sec) - H2O-32_NVT_CSVR_gen_noCNS1.inp -0.509272888286E+00 OK ( 0.21 sec) - H2O-32_NVT_CSVR_gen_noCNS1_R.inp -0.458244617541E+00 OK ( 0.14 sec) - H2O-32_NVT_CSVR_gen_noCNS2.inp -0.505086327342E+00 OK ( 0.18 sec) - H2O-32_NVT_CSVR_gen_noCNS2_R.inp -0.448996689945E+00 OK ( 0.17 sec) - H2O-32_NVT_NOSE_gen_noCNS1.inp -0.495791635301E+00 OK ( 0.21 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 ( 0.21 sec) - H2O-32_NVT_NOSE_gen_noCNS2_R.inp -0.470407397710E+00 OK ( 0.24 sec) - H2O-32_NVT_CSVR_gen_noCNS3.inp -0.505086327342E+00 OK ( 0.22 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/Fist/regtest-11 (23 of 47) done in 8.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-ot-refine-3 (24 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-ot-refine-3 - h2o_ot_lwdn_on_the_fly_l1.inp -17.13045715683763 OK ( 0.20 sec) - h2o_ot_poly_on_the_fly_l1.inp -17.13045715683762 OK ( 0.24 sec) - o2_ot_lwdn_on_the_fly_l1.inp -31.70815200232907 OK ( 0.36 sec) - o2_ot_poly_on_the_fly_l1.inp -31.70815200232899 OK ( 0.36 sec) - h2o_ot_refine_3.inp -17.08884672065213 OK ( 0.14 sec) - h2o_ot_refine_4.inp -17.11857283464188 OK ( 0.17 sec) - o2_ot_refine_3.inp -31.60858514413052 OK ( 0.24 sec) - o2_ot_refine_4.inp -31.58768162895350 OK ( 0.20 sec) - h2o_ot_precond_1.inp -16.05766867329444 OK ( 0.10 sec) - h2o_ot_precond_2.inp -16.06790080254975 OK ( 0.07 sec) - h2o_ot_precond_3.inp -16.02559849783372 OK ( 0.09 sec) - h2o_ot_precond_4.inp -15.85782186391534 OK ( 0.08 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-ot-refine-3 (24 of 47) done in 7.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/FARMING/regtest-1 (25 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/FARMING/regtest-1 - farming-1.inp - OK ( 0.59 sec) - farming-2.inp - OK ( 1.00 sec) - farming-3.inp - OK ( 0.49 sec) - farming-4.inp - OK ( 0.43 sec) - farming-5.inp - OK ( 0.67 sec) - farming-6.inp - OK ( 0.64 sec) - farming-7.inp - OK ( 0.45 sec) - farming-8.inp - OK ( 0.42 sec) - farming-9.inp - OK ( 0.08 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/FARMING/regtest-1 (25 of 47) done in 9.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-md-lgvregion (26 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-md-lgvregion - langevin_regions-1.inp -34.28350497029996 OK ( 0.68 sec) - langevin_regions-2.inp -34.29678091854695 OK ( 0.67 sec) - langevin_regions-3.inp -34.28350497029996 OK ( 0.70 sec) - langevin_regions-4.inp -34.28727330165906 OK ( 0.76 sec) - langevin_regions-5.inp -34.36743843099325 OK ( 0.93 sec) - langevin_regions-6.inp -34.36335813030995 OK ( 0.86 sec) - langevin_regions-7.inp -34.37404120268137 OK ( 0.90 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-md-lgvregion (26 of 47) done in 8.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/QS/regtest-4 (27 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/QS/regtest-4 - crys_per_qmmm.inp -0.08375440741138 OK ( 0.94 sec) - crys_per_qmmm_anal.inp -0.03306937253924 OK ( 0.93 sec) - crys_per_qmmm_spln.inp -0.03306936689222 OK ( 0.89 sec) - crys_per_qmmm_none.inp -0.08375440741161 OK ( 0.57 sec) - acn-qmmm-re.inp -14.78512402427965 OK ( 0.32 sec) - acn-conn-1.inp -291.88277950577515 OK ( 2.74 sec) - wat_nacl.inp -16.691503876246998 OK ( 1.14 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/QS/regtest-4 (27 of 47) done in 11.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-all-electron (28 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-all-electron - H2O-xrd.inp -9.9999991403 OK ( 0.84 sec) - H2O-rhotot-cube.inp -9.9999990366 OK ( 1.37 sec) - NO2-rhotot-cube.inp -1.0000002244 OK ( 4.19 sec) - H2O-rho_hard_approx-cube.inp -10.0000390554 OK ( 2.59 sec) - NO2-rho_hard_approx-cube.inp -1.0000006762 OK ( 3.79 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-all-electron (28 of 47) done in 16.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-gapw-2 (29 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-gapw-2 - Li-ROKS.inp -7.33891040994163 OK ( 2.35 sec) - NO2-ROKS.inp -203.77833570926873 OK ( 5.95 sec) - C-levelshift.inp -37.44694658478267 OK ( 3.25 sec) - H2-pbe-restart-run.inp -0.60698327541571 OK ( 4.47 sec) - H2-pbe-restart-rerun.inp -0.60698327541577 OK ( 1.27 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-gapw-2 (29 of 47) done in 21.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-mp2-1 (30 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-mp2-1 - H2O-01.inp -76.263035235012325 OK ( 5.65 sec) - Li.inp -7.442887463667666 OK ( 7.86 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-mp2-1 (30 of 47) done in 15.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-hybrid-1 (31 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-hybrid-1 - H2O-hybrid-bhandh.inp -75.90482120088636 OK ( 1.19 sec) - H2O-hybrid-bhandhlyp.inp -76.33558053104214 OK ( 1.33 sec) - H2O-hybrid-pbe0.inp -76.31995335312706 OK ( 1.26 sec) - H2O-hybrid-b3lyp.inp -76.37338940401884 OK ( 2.01 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-hybrid-1 (31 of 47) done in 9.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-optbas (32 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-optbas - H2O-ref.inp -17.02896604845326 OK ( 0.67 sec) - H2-ref.inp -1.11824989194244 OK ( 0.42 sec) - opt-1.inp -.46916008E+03 OK ( 1.88 sec) - opt-2.inp -.55279835E+03 OK ( 2.40 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-optbas (32 of 47) done in 7.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-almo-eda (33 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-almo-eda - almo-eda-x.inp -85.963743073058538 OK ( 5.70 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-almo-eda (33 of 47) done in 8.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-cdft-3-1 (34 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-cdft-3-1 - HeH-noconstraint.inp -3.01067446615065 OK ( 0.79 sec) - HeH-cdft-state-1.inp 0.048406444572 OK ( 1.10 sec) - HeH-cdft-state-2-reversed.inp -1.819391902440 OK ( 1.24 sec) - HeH-mixed-cdft-reversed-1.inp 616.641603574339 OK ( 0.41 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-cdft-3-1 (34 of 47) done in 6.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-pao-3 (35 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-pao-3 - He_ref.inp -2.889334869153457 OK ( 0.48 sec) - He_pao_initguess_exp.inp -2.888972913350901 OK ( 0.29 sec) - He_pao_initguess_fock.inp -2.888972913350901 OK ( 0.30 sec) - He_pao_initguess_rotinv.inp -2.888972913350901 OK ( 0.25 sec) - He_pao_initguess_gth.inp -2.888972913350901 OK ( 0.31 sec) - He_pao_initguess_equi.inp -2.888972913384499 OK ( 0.31 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-pao-3 (35 of 47) done in 5.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-double-hybrid-2 (36 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-double-hybrid-2 - H2O_B2GPPLYP.inp -76.279036985508782 OK ( 2.13 sec) - H2O_DSD-BLYP.inp -76.311305833143180 OK ( 2.08 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-double-hybrid-2 (36 of 47) done in 6.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-sccs-2 (37 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-sccs-2 - H2O_sccs_otdiis_cd5.inp -17.22654049702944 OK ( 5.31 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-sccs-2 (37 of 47) done in 7.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-properties/resp (38 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-properties/resp - CH3OH_nonperiodic.inp 4.418290 OK ( 0.30 sec) - CH3OH_periodic.inp 2.456029 OK ( 0.24 sec) + slater_4.inp 8.063992740899 OK ( 0.04 sec) + slater_5.inp 109583.1142108135 OK ( 0.12 sec) + slater_6.inp 3762956.0619032099 OK ( 0.26 sec) + slater_7.inp -2.8616551305 OK ( 0.89 sec) + slater_8.inp -0.1875976021 OK ( 0.10 sec) + slater_9.inp -525.7615443522 OK ( 0.17 sec) + slater_10.inp -2.841058209720 OK ( 0.02 sec) + Hg.inp -19601.624766751105 OK ( 1.45 sec) + C.inp -37.799871796427 OK ( 0.23 sec) + C_ADMM.inp -37.758721798836 OK ( 0.30 sec) + C_tpss.inp -37.801438870459 OK ( 0.31 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/ATOM/regtest-2 (5 of 47) done in 46.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-ri-rpa (6 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-ri-rpa + RI_RPA_H2O.inp -17.145691221376200 OK ( 13.93 sec) + RI_RPA_H2O_overlap_metric.inp -17.145538849244357 OK ( 17.12 sec) + RI_RPA_CH3.inp -7.415612316029160 OK ( 41.66 sec) + RI_RPA_H2O_SYRK.inp -17.145691221376190 OK ( 24.04 sec) + RI_RPA_minimax_H_atom.inp -0.510122901484698 OK ( 11.70 sec) + RI_RPA_H2O_minimax.inp -17.145691263471388 OK ( 37.15 sec) + RI_RPA_H2O_PBE0.inp -17.122863632433699 OK ( 10.79 sec) + RI_RPA_H2O_PBE0_ADMM1.inp -17.125217824055689 OK ( 70.00 sec) + RI_RPA_H2O_Obara_Saika.inp -17.160204463745295 OK ( 6.91 sec) + RI_RPA_H2O_svd.inp -17.145691221376175 OK ( 12.57 sec) + RI_RPA_H2O_overlap_metric_svd.inp -17.145530117968583 OK ( 18.81 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-ri-rpa (6 of 47) done in 277.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/MC/regtest (7 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/MC/regtest + MC_QS.inp -51.34794469 OK ( 4.04 sec) + MC_QS_restart.inp -51.34909000 OK ( 4.38 sec) + GEMC_NpT_box1.inp 0.49826574 OK ( 2.38 sec) + GEMC_NVT_box1.inp 0.49803069 OK ( 2.59 sec) + GEMC_swap_box1.inp 0.55872200 OK ( 7.36 sec) + canonical.inp 0.55333815 OK ( 0.36 sec) + canonical_bias.inp 0.38566238 OK ( 2.09 sec) + virial.inp -.723498E+03 OK ( 0.78 sec) + hmc.inp -2.49775342 OK ( 21.99 sec) + MC_QS_cluster.inp -123.50714373283496 OK ( 66.13 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/MC/regtest (7 of 47) done in 120.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-lvlshift (8 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-lvlshift + c2h2-gpw-inverse.inp -12.47387109223699 OK ( 23.66 sec) + c2h2-gpw-inverse.inp 0.261219 OK ( 18.95 sec) + c2h2-gpw-off.inp -12.47387109223698 OK ( 17.79 sec) + c2h2-gpw-off.inp 0.261219 OK ( 22.84 sec) + c2h2-gpw-reduce.inp -12.47387109223699 OK ( 15.64 sec) + c2h2-gpw-reduce.inp 0.261219 OK ( 15.57 sec) + c2h2-gpw-restore.inp -12.47387109223698 OK ( 14.02 sec) + c2h2-gpw-restore.inp 0.261219 OK ( 14.69 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-lvlshift (8 of 47) done in 152.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/DFTB/regtest-nonscc (9 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/DFTB/regtest-nonscc + ch2o-1.inp -5.82072731467941 OK ( 0.13 sec) + ch2o-2.inp -5.82159061359820 OK ( 0.20 sec) + ch2o-3.inp -5.81373413468793 OK ( 0.14 sec) + ch2o-r.inp -5.81373413468793 OK ( 0.61 sec) + h2-1.inp -0.70875565358819 OK ( 0.07 sec) + h2-2.inp -0.70875565358819 OK ( 0.04 sec) + h2-3.inp -0.70875565358819 OK ( 0.16 sec) + h2-4.inp -0.71042952969308 OK ( 0.82 sec) + h2o-32_1.inp -131.08636939008773 OK ( 1.07 sec) + h2o-32_2.inp -131.07999691054357 OK ( 1.28 sec) + h2o-32_3.inp -131.07520911566402 OK ( 0.73 sec) + h2o-32_4.inp -131.07520911521175 OK ( 5.63 sec) + MoS.inp -2.99616182900092 OK ( 0.67 sec) + n2.inp -4.86560729574766 OK ( 0.98 sec) + s2.inp -4.83731808711857 OK ( 1.79 sec) + ch2o_atprop.inp -5.81281420275335 OK ( 0.11 sec) + MoS_atprop.inp -2.99616182900092 OK ( 0.22 sec) + h2o-32_atprop.inp -131.08636939008773 OK ( 0.74 sec) + co2_1.inp -8.55586246566686 OK ( 0.20 sec) + co2_2.inp -8.55586246566686 OK ( 0.18 sec) + co2_3.inp -8.55586246566686 OK ( 0.13 sec) + si_kp1.inp -10.06358203475393 OK ( 1.66 sec) + si_kp2.inp - OK ( 14.34 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/DFTB/regtest-nonscc (9 of 47) done in 49.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-tddfpt (10 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-tddfpt + H2O_tddfpt-s-1.inp 0.600232E+00 OK ( 2.87 sec) + H2O_tddfpt-t-1.inp 0.289055E+00 OK ( 5.69 sec) + NO_tddfpt-s-1.inp 0.319837E+00 OK ( 20.96 sec) + NO_tddfpt-t-1.inp 0.324319E+00 OK ( 22.31 sec) + H2O_tddfpt-s-2.inp 0.543390E+00 OK ( 8.35 sec) + H2O_tddfpt-t-2.inp 0.548605E+00 OK ( 6.66 sec) + NO_tddfpt-t-2.inp 0.340342E+00 OK ( 20.01 sec) + H2O_tddfpt-s-3.inp 0.543390E+00 OK ( 7.57 sec) + H2O_tddfpt-t-3.inp 0.579030E+00 OK ( 7.02 sec) + NO_tddfpt-s-3.inp 0.326331E+00 OK ( 27.12 sec) + NO_tddfpt-t-3.inp 0.340342E+00 OK ( 21.46 sec) + H2O_tddfpt_NTO.inp 0.542432E+00 OK ( 2.56 sec) + H2O_tddfpt_NTO_slist.inp 0.542432E+00 OK ( 4.13 sec) + H2O_tddfpt_NTO_restart.inp 0.542432E+00 OK ( 3.09 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-tddfpt (10 of 47) done in 173.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-tddfpt-lri (11 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-tddfpt-lri + h2o_lri01_only_es.inp 0.941247E+00 OK ( 25.70 sec) + h2o_lri02_es_and_gs.inp 0.942149E+00 OK ( 28.35 sec) + h2o_hfxlr.inp 0.216753E+00 OK ( 16.15 sec) + h2o_t01.inp 0.247964E+00 OK ( 12.51 sec) + h2o_t02.inp 0.236972E+00 OK ( 13.54 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-tddfpt-lri (11 of 47) done in 101.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/DFTB/regtest (12 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/DFTB/regtest + wdim_scc.inp -4.071762227106624 OK ( 0.45 sec) + wdim_nonscc.inp -4.103196491657346 OK ( 0.39 sec) + wdimmc_scc.inp -4.073207386660246 OK ( 0.59 sec) + wdimmc_nonscc.inp -4.104297786205958 OK ( 0.20 sec) + epc_1.inp -4.071784048619485 OK ( 0.58 sec) + epc_2.inp -4.071742011375122 OK ( 0.88 sec) + epc_3.inp -4.103221098162718 OK ( 0.38 sec) + epc_4.inp -4.071792193944628 OK ( 0.53 sec) + fdeb_1.inp - OK ( 17.08 sec) + fdeb_2.inp - OK ( 19.92 sec) + fdeb_3.inp - OK ( 15.14 sec) + fdeb_4.inp - OK ( 28.46 sec) + fdeb_5.inp - OK ( 46.56 sec) + fdeb_6.inp - OK ( 31.79 sec) + fdeb_7.inp - OK ( 87.60 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/DFTB/regtest (12 of 47) done in 265.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-ri-mp2 (13 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-ri-mp2 + RI_MP2_H2O.inp -17.182557666877447 OK ( 20.59 sec) + RI_MP2_H2O_MME.inp -17.054236987683790 OK ( 3.37 sec) + RI_MP2_H2O_NONORTHO_MME.inp -17.056851399834585 OK ( 9.12 sec) + RI_MP2_CH3.inp -7.284101370683137 OK ( 13.11 sec) + RI_MP2_CH3_single_group.inp -7.284101370683138 OK ( 9.25 sec) + RI_MP2_CH3_auto.inp -7.283986189880404 OK ( 16.91 sec) + RI_MP2_H2O_svd.inp -17.049485626822584 OK ( 18.75 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-ri-mp2 (13 of 47) done in 97.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-hirshfeld (14 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-hirshfeld + htest_1.inp -17.14603641519601 OK ( 1.96 sec) + htest_2.inp -17.14603641519601 OK ( 1.45 sec) + htest_3.inp -17.14603641519601 OK ( 2.38 sec) + htest_4.inp -17.14603641519601 OK ( 2.33 sec) + htest_5.inp -17.14603641519601 OK ( 2.35 sec) + htest_6.inp -17.14603641519601 OK ( 1.97 sec) + htest_7.inp -17.13771713041178 OK ( 2.67 sec) + htest_8.inp -17.13771713041178 OK ( 2.48 sec) + htest_9.inp -17.13771713041178 OK ( 2.42 sec) + hlsd_1.inp -16.81101156813313 OK ( 3.50 sec) + hlsd_2.inp -16.81101156813314 OK ( 3.77 sec) + hlsd_3.inp -16.81101156813314 OK ( 3.76 sec) + hlsd_4.inp -16.81101156813314 OK ( 1.47 sec) + hlsd_5.inp -16.81101156813314 OK ( 3.81 sec) + hlsd_6.inp -16.80070757658133 OK ( 2.95 sec) + hlsd_7.inp -16.80070757658133 OK ( 3.57 sec) + hlsd_8.inp -16.80070757658133 OK ( 3.15 sec) + hlsd_9.inp -16.80070757658133 OK ( 2.17 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-hirshfeld (14 of 47) done in 65.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-gpw-2-1 (15 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-gpw-2-1 + H2-vib.inp 3855.524137 OK ( 18.13 sec) + H2-vib_tc.inp -5.75148845 OK ( 8.46 sec) + N2_raman.inp 2662.743559 OK ( 37.60 sec) + H2O-2.inp -17.14619644944912 OK ( 1.17 sec) + H2O-3.inp -17.14553123442894 OK ( 1.32 sec) + H2O-4.inp -17.14677584577024 OK ( 1.33 sec) + ZrO.inp -62.20561057734395 OK ( 0.73 sec) + Ar-12.inp -21.04251999575907 OK ( 1.11 sec) + Ar-13.inp -21.12624107439710 OK ( 1.21 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-gpw-2-1 (15 of 47) done in 77.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/QS/regtest-2-erf (16 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/QS/regtest-2-erf + H2O-qmmm-gauss-14-geep-2.inp -12.90417644796693 OK ( 0.36 sec) + H2O-qmmm-gauss-14-geep-3.inp -12.90712061196072 OK ( 0.32 sec) + H2O-qmmm-gauss-14-geep-4.inp -12.90733560862244 OK ( 0.43 sec) + H2O-qmmm-gauss-14-geep-5.inp -12.92642686633917 OK ( 0.28 sec) + H2O-qmmm-gauss-14-geep-6.inp -12.92230602230404 OK ( 0.65 sec) + H2O-qmmm-gauss-14-geep-7.inp -12.91849696653665 OK ( 0.37 sec) + H2O-qmmm-gauss-14-geep-8.inp -12.91621682584685 OK ( 0.35 sec) + H2O-qmmm-gauss-14-geep-9.inp -12.91437166178600 OK ( 0.52 sec) + H2O-qmmm-gauss-14-geep-10.inp -12.91328069126082 OK ( 0.37 sec) + H2O-qmmm-gauss-14-geep-11.inp -12.91297474165067 OK ( 0.51 sec) + H2O-qmmm-gauss-14-geep-12.inp -12.91332340555361 OK ( 0.69 sec) + H2O-qmmm-gauss-14-geep-13.inp -12.91325023093564 OK ( 0.64 sec) + H2O-qmmm-gauss-14-geep-14.inp -12.91299456139048 OK ( 0.69 sec) + H2O-qmmm-gauss-14-geep-15.inp -12.91325018773841 OK ( 2.44 sec) + H2O-qmmm-gauss-14-geep-16.inp -12.91325925146546 OK ( 2.07 sec) + H2O-qmmm-gauss-14-geep-17.inp -12.91336718382166 OK ( 3.36 sec) + H2O-qmmm-gauss-14-geep-18.inp -12.91336753631511 OK ( 3.34 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/QS/regtest-2-erf (16 of 47) done in 30.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-dm-ls-scf-4 (17 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-dm-ls-scf-4 + H2O-dft-ls-DEFAULTS.inp -17.031737705912359 OK ( 1.65 sec) + H2O-dft-ls-NEWTONSCHULZ.inp -17.031737705912359 OK ( 1.06 sec) + H2O-dft-ls-PROOT3.inp -17.031737715860000 OK ( 2.19 sec) + H2O-dft-ls-PROOT4.inp -17.031737702677937 OK ( 1.09 sec) + H2O-dft-ls-PROOT5.inp -17.031737600352223 OK ( 3.13 sec) + H2O-dft-ls-NEWTONSCHULZ3.inp -17.031737706156242 OK ( 1.95 sec) + H2O-dft-ls-NEWTONSCHULZ4.inp -17.031737706156235 OK ( 2.06 sec) + H2O-dft-ls-NEWTONSCHULZ5.inp -17.031737706156235 OK ( 2.74 sec) + H2O-dft-ls-NEWTONSCHULZ6.inp -17.031737706156164 OK ( 1.42 sec) + H2O-dft-ls-NEWTONSCHULZ7.inp -17.031737706162676 OK ( 0.88 sec) + H2O-dft-ls-NEWTONSCHULZ-SYMMETRIC.inp -17.031737705912363 OK ( 2.06 sec) + H2O-dft-ls-SUBMATRIX-NS.inp -17.031737705912359 OK ( 2.12 sec) + H2O-dft-ls-SUBMATRIX-NS3.inp -17.031737706156235 OK ( 1.58 sec) + H2O-dft-ls-SUBMATRIX-DIRECT.inp -17.031737706156235 OK ( 1.82 sec) + H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ.inp -17.031737706156235 OK ( 1.36 sec) + H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ-LOWMEM.inp -17.031737706156242 OK ( 1.82 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-dm-ls-scf-4 (17 of 47) done in 41.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-ps-implicit-2-3 (18 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-ps-implicit-2-3 + H2O_mixed_periodic_cuboidal.inp -17.23631232134670 OK ( 47.74 sec) + H2O_mixed_periodic_cylindrical.inp -17.32193400041622 OK ( 22.67 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-ps-implicit-2-3 (18 of 47) done in 73.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-polar (19 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-polar + h2o_LRraman.inp 0.006179870499 OK ( 1.17 sec) + h2o_LRraman_loc.inp 0.009267643345 OK ( 17.58 sec) + h2o_LRraman_noort.inp 0.020215112241 OK ( 3.08 sec) + H2O_md_polar.inp 0.619470373245 OK ( 34.29 sec) + xTB_LRraman.inp 0.807352993847 OK ( 1.78 sec) + xTB_LRraman_loc.inp 0.807352993847 OK ( 0.28 sec) + h2o_LRraman_LRI.inp 0.004283571065 OK ( 8.02 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-polar (19 of 47) done in 72.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-hfx-stress (20 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-hfx-stress + ch3-admm.inp -7.17220679417E+04 OK ( 27.27 sec) + ch3.inp 2.83902802441E+05 OK ( 6.28 sec) + ch4-admm.inp -7.10694585647E+04 OK ( 19.57 sec) + h2o.inp 1.26297506340E+05 OK ( 4.04 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-hfx-stress (20 of 47) done in 61.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/QS/regtest-gapw (21 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/QS/regtest-gapw + C11H24-qmmmgapwall-gauss-0.inp -156.88271046728110 OK ( 3.38 sec) + C11H24-qmmmgapw-gauss-0.inp -28.0421973525 OK ( 4.72 sec) + H2O-qmmm-gapw-fdbg.inp -15.85173442489611 OK ( 64.58 sec) + H2O-qmmm-hfx.inp -0.176043379384E+02 OK ( 18.85 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/QS/regtest-gapw (21 of 47) done in 96.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/SE/regtest_2 (22 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/SE/regtest_2 + nh3_g4x6_excl_mm.inp -0.913069017786E+01 OK ( 1.13 sec) + nh3_g4x6_excl_qm.inp -0.913127863162E+01 OK ( 9.76 sec) + water_colv_excl_mm.inp -0.128071776255E+02 OK ( 3.01 sec) + water_colv_excl_qm.inp -0.128078086386E+02 OK ( 5.20 sec) + water_fixd_excl_mm.inp -0.128094856912E+02 OK ( 4.37 sec) + water_fixd_excl_qm.inp -0.128087667071E+02 OK ( 1.20 sec) + water_g3x3_excl_mm.inp -0.128057061878E+02 OK ( 5.57 sec) + water_g3x3_excl_qm.inp -0.128090813557E+02 OK ( 2.77 sec) + Si_tersoff_qmmm.inp -3418.06809308942047 OK ( 10.37 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/SE/regtest_2 (22 of 47) done in 51.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/Fist/regtest-11 (23 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/Fist/regtest-11 + H2O-32_NVT_CSVR_gen1.inp -0.609208076083E+00 OK ( 0.37 sec) + H2O-32_NVT_CSVR_gen2.inp -0.532133592588E+00 OK ( 0.37 sec) + H2O-32_NVT_CSVR_gen3.inp -0.500113893497E+00 OK ( 0.41 sec) + H2O-32_NVT_NOSE_gen_noCNS0.inp -0.492823650978E+00 OK ( 0.34 sec) + H2O-32_NVT_CSVR_gen_noCNS1.inp -0.509272888286E+00 OK ( 1.27 sec) + H2O-32_NVT_CSVR_gen_noCNS1_R.inp -0.458244617541E+00 OK ( 1.21 sec) + H2O-32_NVT_CSVR_gen_noCNS2.inp -0.505086327342E+00 OK ( 1.28 sec) + H2O-32_NVT_CSVR_gen_noCNS2_R.inp -0.448996689945E+00 OK ( 1.19 sec) + H2O-32_NVT_NOSE_gen_noCNS1.inp -0.495791635301E+00 OK ( 0.70 sec) + H2O-32_NVT_NOSE_gen_noCNS1_R.inp -0.494111874054E+00 OK ( 0.34 sec) + H2O-32_NVT_NOSE_gen_noCNS2.inp -0.484511068410E+00 OK ( 1.18 sec) + H2O-32_NVT_NOSE_gen_noCNS2_R.inp -0.470407397710E+00 OK ( 0.71 sec) + H2O-32_NVT_CSVR_gen_noCNS3.inp -0.505086327342E+00 OK ( 0.88 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/Fist/regtest-11 (23 of 47) done in 20.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-ot-refine-3 (24 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-ot-refine-3 + h2o_ot_lwdn_on_the_fly_l1.inp -17.13045715683763 OK ( 1.47 sec) + h2o_ot_poly_on_the_fly_l1.inp -17.13045715683762 OK ( 3.79 sec) + o2_ot_lwdn_on_the_fly_l1.inp -31.70815200232902 OK ( 1.37 sec) + o2_ot_poly_on_the_fly_l1.inp -31.70815200232905 OK ( 6.50 sec) + h2o_ot_refine_3.inp -17.08884672065213 OK ( 3.05 sec) + h2o_ot_refine_4.inp -17.11857283464188 OK ( 2.04 sec) + o2_ot_refine_3.inp -31.60858514413052 OK ( 3.09 sec) + o2_ot_refine_4.inp -31.58768162895351 OK ( 4.46 sec) + h2o_ot_precond_1.inp -16.05766867329444 OK ( 1.91 sec) + h2o_ot_precond_2.inp -16.06790080254975 OK ( 1.71 sec) + h2o_ot_precond_3.inp -16.02559849783371 OK ( 2.17 sec) + h2o_ot_precond_4.inp -15.85782186391534 OK ( 1.83 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-ot-refine-3 (24 of 47) done in 43.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/FARMING/regtest-1 (25 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/FARMING/regtest-1 + farming-1.inp - OK ( 2.97 sec) + farming-2.inp - OK ( 2.89 sec) + farming-3.inp - OK ( 2.79 sec) + farming-4.inp - OK ( 5.78 sec) + farming-5.inp - OK ( 7.33 sec) + farming-6.inp - OK ( 7.95 sec) + farming-7.inp - OK ( 7.24 sec) + farming-8.inp - OK ( 7.08 sec) + farming-9.inp - OK ( 1.06 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/FARMING/regtest-1 (25 of 47) done in 55.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-md-lgvregion (26 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-md-lgvregion + langevin_regions-1.inp -34.28350497029997 OK ( 9.86 sec) + langevin_regions-2.inp -34.29678091854696 OK ( 11.89 sec) + langevin_regions-3.inp -34.28350497029996 OK ( 13.07 sec) + langevin_regions-4.inp -34.28727330165908 OK ( 11.98 sec) + langevin_regions-5.inp -34.36743843099325 OK ( 13.74 sec) + langevin_regions-6.inp -34.36335813030995 OK ( 8.87 sec) + langevin_regions-7.inp -34.37404120268136 OK ( 29.34 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-md-lgvregion (26 of 47) done in 107.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/QS/regtest-4 (27 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/QS/regtest-4 + crys_per_qmmm.inp -0.08375440741138 OK ( 5.34 sec) + crys_per_qmmm_anal.inp -0.03306937253924 OK ( 4.41 sec) + crys_per_qmmm_spln.inp -0.03306936689222 OK ( 5.00 sec) + crys_per_qmmm_none.inp -0.08375440741161 OK ( 2.70 sec) + acn-qmmm-re.inp -14.78512402428017 OK ( 4.09 sec) + acn-conn-1.inp -291.88277950580965 OK ( 11.56 sec) + wat_nacl.inp -16.691503876246998 OK ( 5.86 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/QS/regtest-4 (27 of 47) done in 46.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-all-electron (28 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-all-electron + H2O-xrd.inp -9.9999991403 OK ( 4.19 sec) + H2O-rhotot-cube.inp -9.9999990366 OK ( 5.39 sec) + NO2-rhotot-cube.inp -1.0000002244 OK ( 23.68 sec) + H2O-rho_hard_approx-cube.inp -10.0000390554 OK ( 5.63 sec) + NO2-rho_hard_approx-cube.inp -1.0000006762 OK ( 11.31 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-all-electron (28 of 47) done in 56.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-gapw-2 (29 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-gapw-2 + Li-ROKS.inp -7.33891040994163 OK ( 6.17 sec) + NO2-ROKS.inp -203.77833570926887 OK ( 14.60 sec) + C-levelshift.inp -37.44694658478267 OK ( 6.15 sec) + H2-pbe-restart-run.inp -0.60698327541571 OK ( 9.85 sec) + H2-pbe-restart-rerun.inp -0.60698327541577 OK ( 2.16 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-gapw-2 (29 of 47) done in 45.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-mp2-1 (30 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-mp2-1 + H2O-01.inp -76.263035235012339 OK ( 16.05 sec) + Li.inp -7.442887463667666 OK ( 20.40 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-mp2-1 (30 of 47) done in 40.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-hybrid-1 (31 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-hybrid-1 + H2O-hybrid-bhandh.inp -75.90482120088636 OK ( 5.29 sec) + H2O-hybrid-bhandhlyp.inp -76.33558053104213 OK ( 5.87 sec) + H2O-hybrid-pbe0.inp -76.31995335312710 OK ( 6.04 sec) + H2O-hybrid-b3lyp.inp -76.37338940401885 OK ( 5.10 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-hybrid-1 (31 of 47) done in 27.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-optbas (32 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-optbas + H2O-ref.inp -17.02896604845326 OK ( 7.30 sec) + H2-ref.inp -1.11824989194244 OK ( 5.29 sec) + opt-1.inp -.46916008E+03 OK ( 22.71 sec) + opt-2.inp -.55279835E+03 OK ( 15.80 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-optbas (32 of 47) done in 57.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-almo-eda (33 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-almo-eda + almo-eda-x.inp -85.963743073058538 OK ( 50.21 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-almo-eda (33 of 47) done in 52.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-cdft-3-1 (34 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-cdft-3-1 + HeH-noconstraint.inp -3.01067446615065 OK ( 2.02 sec) + HeH-cdft-state-1.inp 0.048406444577 OK ( 4.05 sec) + HeH-cdft-state-2-reversed.inp -1.819391902440 OK ( 5.55 sec) + HeH-mixed-cdft-reversed-1.inp 616.641603574763 OK ( 1.09 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-cdft-3-1 (34 of 47) done in 17.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-pao-3 (35 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-pao-3 + He_ref.inp -2.889334869153457 OK ( 1.40 sec) + He_pao_initguess_exp.inp -2.888972913350901 OK ( 0.71 sec) + He_pao_initguess_fock.inp -2.888972913350901 OK ( 1.13 sec) + He_pao_initguess_rotinv.inp -2.888972913350901 OK ( 1.06 sec) + He_pao_initguess_gth.inp -2.888972913350901 OK ( 0.97 sec) + He_pao_initguess_equi.inp -2.888972913384499 OK ( 0.93 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-pao-3 (35 of 47) done in 10.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-double-hybrid-2 (36 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-double-hybrid-2 + H2O_B2GPPLYP.inp -76.279036985508696 OK ( 2.33 sec) + H2O_DSD-BLYP.inp -76.311305833143166 OK ( 2.05 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-double-hybrid-2 (36 of 47) done in 6.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-sccs-2 (37 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-sccs-2 + H2O_sccs_otdiis_cd5.inp -17.22654049702944 OK ( 5.51 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-sccs-2 (37 of 47) done in 7.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-properties/resp (38 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-properties/resp + CH3OH_nonperiodic.inp 4.418290 OK ( 0.31 sec) + CH3OH_periodic.inp 2.456029 OK ( 0.28 sec) graphite.inp -1.073313 OK ( 0.62 sec) - CH3OH_periodic_repeat.inp -4.871712 OK ( 0.28 sec) - graphite_REPEAT.inp 0.006058 OK ( 0.62 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-properties/resp (38 of 47) done in 5.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/NEB/regtest-1 (39 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/NEB/regtest-1 - 2gly_B-NEB.inp -0.25722568775443 OK ( 0.64 sec) - 2gly_CI-NEB.inp -0.18925537289846 OK ( 0.64 sec) + CH3OH_periodic_repeat.inp -4.871712 OK ( 0.22 sec) + graphite_REPEAT.inp 0.006058 OK ( 0.56 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-properties/resp (38 of 47) done in 5.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/NEB/regtest-1 (39 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/NEB/regtest-1 + 2gly_B-NEB.inp -0.25722568775435 OK ( 0.65 sec) + 2gly_CI-NEB.inp -0.18925537289844 OK ( 0.68 sec) 2gly_EB-NEB.inp 49.27319370382768 OK ( 0.62 sec) 2gly_IT-NEB.inp 0.38518828458757 OK ( 0.51 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/NEB/regtest-1 (39 of 47) done in 5.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/SE/regtest-3-1 (40 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/SE/regtest-3-1 +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/NEB/regtest-1 (39 of 47) done in 5.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/SE/regtest-3-1 (40 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/SE/regtest-3-1 H2O-MNDO-2.inp -351.42145109555833 OK ( 0.14 sec) H-0.inp -0.319258384771667 OK ( 0.04 sec) H2-0.inp -0.993280881213762 OK ( 0.08 sec) - H2.inp -0.037305167769230 OK ( 0.07 sec) - H2O-MNDO.inp -12.913048351744976 OK ( 0.34 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/SE/regtest-3-1 (40 of 47) done in 3.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/optimize_input/regtest-1 (41 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/optimize_input/regtest-1 + H2.inp -0.037305167769230 OK ( 0.06 sec) + H2O-MNDO.inp -12.913048351744976 OK ( 0.36 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/SE/regtest-3-1 (40 of 47) done in 3.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/optimize_input/regtest-1 (41 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/optimize_input/regtest-1 argon-ref.inp - OK ( 0.05 sec) - driver.inp 0.1072347063760514E+03 OK ( 0.26 sec) - driver-restart.inp 0.1076965059321583E+03 OK ( 0.49 sec) - driver-stride.inp 0.1072343388958498E+03 OK ( 0.15 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/optimize_input/regtest-1 (41 of 47) done in 4.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/SWARM/regtest-glbopt-1 (42 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/SWARM/regtest-glbopt-1 - LJ10_minhop_1.inp -0.26595092E-01 OK ( 0.21 sec) - LJ10_minhop_2.inp -0.28422124E-01 OK ( 0.15 sec) - LJ10_mincrawl_1.inp -0.28421746E-01 OK ( 1.25 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/SWARM/regtest-glbopt-1 (42 of 47) done in 3.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-linearscaling (43 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-linearscaling - test-shrt.inp - OK ( 0.36 sec) - w3-filter.inp -51.14051793253211 OK ( 0.52 sec) - w3-filter-2.inp -78.30555080313518 OK ( 0.20 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-linearscaling (43 of 47) done in 4.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/FE/regtest-2 (44 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/FE/regtest-2 - Solv_alch_chng.inp -0.732003926645E+01 OK ( 2.57 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/FE/regtest-2 (44 of 47) done in 4.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/QS/regtest-lrigpw (45 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/QS/regtest-lrigpw - C11H24-qmmm-gauss-0-lrigpw.inp -28.00745026097548 OK ( 0.80 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QMMM/QS/regtest-lrigpw (45 of 47) done in 2.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-fftw (46 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-fftw - H2-big-1.inp -28.149134408985859 OK ( 0.64 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-fftw (46 of 47) done in 2.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-elpa (47 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-elpa - H2O-6.inp -17.14603641519601 OK ( 0.27 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/tests/QS/regtest-elpa (47 of 47) done in 2.00 sec + driver.inp 0.1072347063760514E+03 OK ( 0.25 sec) + driver-restart.inp 0.1076965059321585E+03 OK ( 0.46 sec) + driver-stride.inp 0.1072343388958499E+03 OK ( 0.15 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/optimize_input/regtest-1 (41 of 47) done in 3.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/SWARM/regtest-glbopt-1 (42 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/SWARM/regtest-glbopt-1 + LJ10_minhop_1.inp -0.26595092E-01 OK ( 0.20 sec) + LJ10_minhop_2.inp -0.28422124E-01 OK ( 0.14 sec) + LJ10_mincrawl_1.inp -0.28422398E-01 OK ( 1.87 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/SWARM/regtest-glbopt-1 (42 of 47) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-linearscaling (43 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-linearscaling + test-shrt.inp - OK ( 0.42 sec) + w3-filter.inp -51.14051793253210 OK ( 0.74 sec) + w3-filter-2.inp -78.30555080313511 OK ( 0.19 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-linearscaling (43 of 47) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/FE/regtest-2 (44 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/FE/regtest-2 + Solv_alch_chng.inp -0.732003926645E+01 OK ( 2.93 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/FE/regtest-2 (44 of 47) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/QS/regtest-lrigpw (45 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/QS/regtest-lrigpw + C11H24-qmmm-gauss-0-lrigpw.inp -28.00745026097568 OK ( 0.83 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QMMM/QS/regtest-lrigpw (45 of 47) done in 2.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-fftw (46 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-fftw + H2-big-1.inp -28.149134408985859 OK ( 0.63 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-fftw (46 of 47) done in 2.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-elpa (47 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-elpa + H2O-6.inp -17.14603641519601 OK ( 0.24 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/tests/QS/regtest-elpa (47 of 47) done in 1.00 sec -------------------------------------------------------------------------- -------------------------------------------------------------------------- - regtesting location summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/summary.txt - regtesting location error_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/error_summary - regtesting location memory_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23/memory_summary - regtesting location output dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2025-08-23_00-19-23 + regtesting location summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/summary.txt + regtesting location error_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/error_summary + regtesting location memory_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58/memory_summary + regtesting location output dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-aarch64-gfortran-psmp-2026-09-26_09-10-58 regtesting location last dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//LAST-Linux-aarch64-gfortran-psmp --------------------------------- Timings -------------------------------- @@ -66027,13 +66063,13 @@ Total number of tests 404 GREPME 0 0 404 0 404 X -Summary: correct: 404 / 404; 14min +Summary: correct: 404 / 404; 47min Status: OK -------------------------------------------------------------------------- -Regtest took 828.00 seconds. +Regtest took 2838.00 seconds. -------------------------------------------------------------------------- -Sat Aug 23 00:33:10 -12 2025 +Sat Sep 26 09:58:15 +14 2026 *************************** testing ended ******************************** make[1]: Leaving directory '/build/reproducible-path/cp2k-2025.1' create-stamp debian/debhelper-build-stamp @@ -66084,12 +66120,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/2643715/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/2643715/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/3016797 and its subdirectories -I: Current time: Sat Aug 23 00:34:02 -12 2025 -I: pbuilder-time-stamp: 1755952442 +I: removing directory /srv/workspace/pbuilder/2643715 and its subdirectories +I: Current time: Sat Sep 26 09:59:11 +14 2026 +I: pbuilder-time-stamp: 1790366351